methyl N-[4-[3-amino-7-(5-morpholin-4-ylpent-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamate

C23H26N6O3 — CID 170422434

IUPACmethyl N-[4-[3-amino-7-(5-morpholin-4-ylpent-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cc(C#CCCCN3CCOCC3)c3[nH]nc(N)c3c2)ccn1
InChIInChI=1S/C23H26N6O3/c1-31-23(30)26-20-15-16(6-7-25-20)18-13-17(21-19(14-18)22(24)28-27-21)5-3-2-4-8-29-9-11-32-12-10-29/h6-7,13-15H,2,4,8-12H2,1H3,(H3,24,27,28)(H,25,26,30)
InChIKeyYCPOUXYRCGGXDL-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.85
Rot. Bonds5

About methyl N-[4-[3-amino-7-(5-morpholin-4-ylpent-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamate

methyl N-[4-[3-amino-7-(5-morpholin-4-ylpent-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamate (PubChem CID 170422434) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is methyl N-[4-[3-amino-7-(5-morpholin-4-ylpent-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[3-amino-7-(5-morpholin-4-ylpent-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamate
PubChem CID170422434
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Namemethyl N-[4-[3-amino-7-(5-morpholin-4-ylpent-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cc(C#CCCCN3CCOCC3)c3[nH]nc(N)c3c2)ccn1
InChIInChI=1S/C23H26N6O3/c1-31-23(30)26-20-15-16(6-7-25-20)18-13-17(21-19(14-18)22(24)28-27-21)5-3-2-4-8-29-9-11-32-12-10-29/h6-7,13-15H,2,4,8-12H2,1H3,(H3,24,27,28)(H,25,26,30)
InChIKeyYCPOUXYRCGGXDL-UHFFFAOYSA-N
XLogP2.85
TPSA118.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl N-[4-[3-amino-7-(5-morpholin-4-ylpent-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamate with MolForge

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Related Compounds

methyl N-[4-[3-amino-7-[2-(1-hydroxycyclopentyl)ethynyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate
CID 170422445
methyl N-[4-[3-amino-7-[4-(difluoromethyl)phenyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate
CID 170422415
[4-[3-amino-7-(3-amino-3-methylbut-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamic acid
CID 170351977
7-(3,3-dimethylbut-1-ynyl)-5-[2-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
CID 170352179
5-(2-amino-4-pyridinyl)-7-[2-(oxan-4-yl)ethynyl]-1H-indazol-3-amine
CID 170352181
N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 170352157
N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-methylbutanamide
CID 170352373
1-[2-[3-amino-5-[2-(oxetan-3-ylamino)-4-pyridinyl]-1H-indazol-7-yl]ethynyl]cyclopentan-1-ol
CID 170352325
N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide
CID 25029480
5-[2-amino-4-(3-amino-1H-indazol-5-yl)-3-pyridinyl]-1-morpholin-4-ylpent-4-yn-1-one
CID 170351850
methyl N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]carbamate
CID 113010883
N-[(4-chlorophenyl)methyl]-8-(5-hydroxypent-1-ynyl)-6-(morpholin-4-ylmethyl)-4-oxo-1H-cinnoline-3-carboxamide
CID 10206909

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[3-amino-7-(5-morpholin-4-ylpent-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[4-[3-amino-7-(5-morpholin-4-ylpent-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamate (CID 170422434) is methyl N-[4-[3-amino-7-(5-morpholin-4-ylpent-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[4-[3-amino-7-(5-morpholin-4-ylpent-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[4-[3-amino-7-(5-morpholin-4-ylpent-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamate is COC(=O)Nc1cc(-c2cc(C#CCCCN3CCOCC3)c3[nH]nc(N)c3c2)ccn1.
What is the InChIKey of methyl N-[4-[3-amino-7-(5-morpholin-4-ylpent-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamate?
The InChIKey is YCPOUXYRCGGXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-31-23(30)26-20-15-16(6-7-25-20)18-13-17(21-19(14-18)22(24)28-27-21)5-3-2-4-8-29-9-11-32-12-10-29/h6-7,13-15H,2,4,8-12H2,1H3,(H3,24,27,28)(H,25,26,30).
What are the key properties of methyl N-[4-[3-amino-7-(5-morpholin-4-ylpent-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamate?
methyl N-[4-[3-amino-7-(5-morpholin-4-ylpent-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamate has a molecular weight of 434.50 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[3-amino-7-(5-morpholin-4-ylpent-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 170422434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).