(3-amino-1H-indazol-6-yl)boronic acid;8-[3-(3-amino-1H-indazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-(3-bromo-5-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;methane;methyl N-[6-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-1H-indazol-3-yl]carbamate

C63H71BBrCl3N18O7 — CID 159321515

IUPAC(3-amino-1H-indazol-6-yl)boronic acid;8-[3-(3-amino-1H-indazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-(3-bromo-5-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;methane;methyl N-[6-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-1H-indazol-3-yl]carbamate
SMILESC.COC(=O)Nc1n[nH]c2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc12.Nc1n[nH]c2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc12.Nc1n[nH]c2cc(B(O)O)ccc12.O=C1NCCC12CCN(c1c(Cl)cncc1Br)CC2
InChIInChI=1S/C22H23ClN6O3.C20H21ClN6O.C13H15BrClN3O.C7H8BN3O2.CH4/c1-32-21(31)26-19-14-3-2-13(10-17(14)27-28-19)15-11-24-12-16(23)18(15)29-8-5-22(6-9-29)4-7-25-20(22)30;21-15-11-23-10-14(12-1-2-13-16(9-12)25-26-18(13)22)17(15)27-7-4-20(5-8-27)3-6-24-19(20)28;14-9-7-16-8-10(15)11(9)18-5-2-13(3-6-18)1-4-17-12(13)19;9-7-5-2-1-4(8(12)13)3-6(5)10-11-7;/h2-3,10-12H,4-9H2,1H3,(H,25,30)(H2,26,27,28,31);1-2,9-11H,3-8H2,(H,24,28)(H3,22,25,26);7-8H,1-6H2,(H,17,19);1-3,12-13H,(H3,9,10,11);1H4
InChIKeyLDVCXRYPFQBCFV-UHFFFAOYSA-N
MW1389.45 g/mol
LogP8.60
Rot. Bonds7

About (3-amino-1H-indazol-6-yl)boronic acid;8-[3-(3-amino-1H-indazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-(3-bromo-5-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;methane;methyl N-[6-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-1H-indazol-3-yl]carbamate

(3-amino-1H-indazol-6-yl)boronic acid;8-[3-(3-amino-1H-indazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-(3-bromo-5-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;methane;methyl N-[6-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-1H-indazol-3-yl]carbamate (PubChem CID 159321515) has the molecular formula C63H71BBrCl3N18O7 and a molecular weight of 1389.45 g/mol. Its IUPAC name is (3-amino-1H-indazol-6-yl)boronic acid;8-[3-(3-amino-1H-indazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-(3-bromo-5-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;methane;methyl N-[6-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-1H-indazol-3-yl]carbamate.

Molecular Properties

Compound Name(3-amino-1H-indazol-6-yl)boronic acid;8-[3-(3-amino-1H-indazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-(3-bromo-5-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;methane;methyl N-[6-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-1H-indazol-3-yl]carbamate
PubChem CID159321515
Molecular FormulaC63H71BBrCl3N18O7
Molecular Weight1389.45 g/mol
Exact Mass1386.41
IUPAC Name(3-amino-1H-indazol-6-yl)boronic acid;8-[3-(3-amino-1H-indazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-(3-bromo-5-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;methane;methyl N-[6-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-1H-indazol-3-yl]carbamate
SMILESC.COC(=O)Nc1n[nH]c2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc12.Nc1n[nH]c2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc12.Nc1n[nH]c2cc(B(O)O)ccc12.O=C1NCCC12CCN(c1c(Cl)cncc1Br)CC2
InChIInChI=1S/C22H23ClN6O3.C20H21ClN6O.C13H15BrClN3O.C7H8BN3O2.CH4/c1-32-21(31)26-19-14-3-2-13(10-17(14)27-28-19)15-11-24-12-16(23)18(15)29-8-5-22(6-9-29)4-7-25-20(22)30;21-15-11-23-10-14(12-1-2-13-16(9-12)25-26-18(13)22)17(15)27-7-4-20(5-8-27)3-6-24-19(20)28;14-9-7-16-8-10(15)11(9)18-5-2-13(3-6-18)1-4-17-12(13)19;9-7-5-2-1-4(8(12)13)3-6(5)10-11-7;/h2-3,10-12H,4-9H2,1H3,(H,25,30)(H2,26,27,28,31);1-2,9-11H,3-8H2,(H,24,28)(H3,22,25,26);7-8H,1-6H2,(H,17,19);1-3,12-13H,(H3,9,10,11);1H4
InChIKeyLDVCXRYPFQBCFV-UHFFFAOYSA-N
XLogP8.60
TPSA352.56 Ų
H-Bond Donors11
H-Bond Acceptors18
Rotatable Bonds7
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001389.45
LogP ≤ 58.60
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3-amino-1H-indazol-6-yl)boronic acid;8-[3-(3-amino-1H-indazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-(3-bromo-5-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;methane;methyl N-[6-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-1H-indazol-3-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

8-[3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 127046538
8-[3-chloro-5-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118407974
4-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]thiophene-2-carbaldehyde
CID 164625693
8-[3-chloro-5-(1H-indol-3-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 162677311
5-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-3-methylthiophene-2-carbaldehyde
CID 164610275
8-[3-chloro-5-(5-chlorothiophen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 164627305
8-[2-amino-5-(1H-indazol-5-yl)-3-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 162594319
8-[5-[5-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 174338970
(3-amino-1H-indazol-6-yl)boronic acid;hydrochloride
CID 139271483
5-[5-chloro-4-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)-3-pyridinyl]-3H-1,3-benzoxazol-2-one
CID 118408143
8-[3-chloro-5-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione
CID 118408036
methyl N-(1H-pyrazolo[5,4-c]pyridin-3-yl)carbamate
CID 141390172

Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-indazol-6-yl)boronic acid;8-[3-(3-amino-1H-indazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-(3-bromo-5-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;methane;methyl N-[6-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-1H-indazol-3-yl]carbamate?
The IUPAC name of (3-amino-1H-indazol-6-yl)boronic acid;8-[3-(3-amino-1H-indazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-(3-bromo-5-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;methane;methyl N-[6-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-1H-indazol-3-yl]carbamate (CID 159321515) is (3-amino-1H-indazol-6-yl)boronic acid;8-[3-(3-amino-1H-indazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-(3-bromo-5-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;methane;methyl N-[6-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-1H-indazol-3-yl]carbamate.
What is the SMILES notation for (3-amino-1H-indazol-6-yl)boronic acid;8-[3-(3-amino-1H-indazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-(3-bromo-5-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;methane;methyl N-[6-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-1H-indazol-3-yl]carbamate?
The canonical SMILES for (3-amino-1H-indazol-6-yl)boronic acid;8-[3-(3-amino-1H-indazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-(3-bromo-5-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;methane;methyl N-[6-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-1H-indazol-3-yl]carbamate is C.COC(=O)Nc1n[nH]c2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc12.Nc1n[nH]c2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc12.Nc1n[nH]c2cc(B(O)O)ccc12.O=C1NCCC12CCN(c1c(Cl)cncc1Br)CC2.
What is the InChIKey of (3-amino-1H-indazol-6-yl)boronic acid;8-[3-(3-amino-1H-indazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-(3-bromo-5-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;methane;methyl N-[6-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-1H-indazol-3-yl]carbamate?
The InChIKey is LDVCXRYPFQBCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O3.C20H21ClN6O.C13H15BrClN3O.C7H8BN3O2.CH4/c1-32-21(31)26-19-14-3-2-13(10-17(14)27-28-19)15-11-24-12-16(23)18(15)29-8-5-22(6-9-29)4-7-25-20(22)30;21-15-11-23-10-14(12-1-2-13-16(9-12)25-26-18(13)22)17(15)27-7-4-20(5-8-27)3-6-24-19(20)28;14-9-7-16-8-10(15)11(9)18-5-2-13(3-6-18)1-4-17-12(13)19;9-7-5-2-1-4(8(12)13)3-6(5)10-11-7;/h2-3,10-12H,4-9H2,1H3,(H,25,30)(H2,26,27,28,31);1-2,9-11H,3-8H2,(H,24,28)(H3,22,25,26);7-8H,1-6H2,(H,17,19);1-3,12-13H,(H3,9,10,11);1H4.
What are the key properties of (3-amino-1H-indazol-6-yl)boronic acid;8-[3-(3-amino-1H-indazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-(3-bromo-5-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;methane;methyl N-[6-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-1H-indazol-3-yl]carbamate?
(3-amino-1H-indazol-6-yl)boronic acid;8-[3-(3-amino-1H-indazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-(3-bromo-5-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;methane;methyl N-[6-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-1H-indazol-3-yl]carbamate has a molecular weight of 1389.45 g/mol, XLogP of 8.60, 7 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-indazol-6-yl)boronic acid;8-[3-(3-amino-1H-indazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-(3-bromo-5-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;methane;methyl N-[6-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-1H-indazol-3-yl]carbamate is sourced from PubChem (CID 159321515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).