N-(1-benzylindazol-5-yl)-6-chloropyrido[3,4-d]pyrimidin-2-amine

C21H15ClN6 — CID 90745460

IUPACN-(1-benzylindazol-5-yl)-6-chloropyrido[3,4-d]pyrimidin-2-amine
SMILESClc1cc2cnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)nc2cn1
InChIInChI=1S/C21H15ClN6/c22-20-9-15-10-24-21(27-18(15)12-23-20)26-17-6-7-19-16(8-17)11-25-28(19)13-14-4-2-1-3-5-14/h1-12H,13H2,(H,24,26,27)
InChIKeyDQFCYNRNTDFNTJ-UHFFFAOYSA-N
MW386.85 g/mol
LogP4.82
Rot. Bonds4

About N-(1-benzylindazol-5-yl)-6-chloropyrido[3,4-d]pyrimidin-2-amine

N-(1-benzylindazol-5-yl)-6-chloropyrido[3,4-d]pyrimidin-2-amine (PubChem CID 90745460) has the molecular formula C21H15ClN6 and a molecular weight of 386.85 g/mol. Its IUPAC name is N-(1-benzylindazol-5-yl)-6-chloropyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-benzylindazol-5-yl)-6-chloropyrido[3,4-d]pyrimidin-2-amine
PubChem CID90745460
Molecular FormulaC21H15ClN6
Molecular Weight386.85 g/mol
Exact Mass386.10
IUPAC NameN-(1-benzylindazol-5-yl)-6-chloropyrido[3,4-d]pyrimidin-2-amine
SMILESClc1cc2cnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)nc2cn1
InChIInChI=1S/C21H15ClN6/c22-20-9-15-10-24-21(27-18(15)12-23-20)26-17-6-7-19-16(8-17)11-25-28(19)13-14-4-2-1-3-5-14/h1-12H,13H2,(H,24,26,27)
InChIKeyDQFCYNRNTDFNTJ-UHFFFAOYSA-N
XLogP4.82
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.85
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-N-(1-benzylindazol-5-yl)-2-N-(3,4-dichlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 23536251
2-N-(1-benzylindazol-5-yl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 23536246
2-N-(1-benzylindazol-5-yl)-4-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,5-triazine-2,4-diamine
CID 23536255
1-benzyl-N-(4-chloro-1,3,5-triazin-2-yl)indazol-5-amine;2-N-(1-benzylindazol-5-yl)-4-N-(3-bromophenyl)-1,3,5-triazine-2,4-diamine;3-bromoaniline
CID 160703901
2-[(1-benzylindazol-5-yl)amino]-5-chlorobenzoic acid
CID 90152676
N-(1-benzylindazol-5-yl)-6-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
CID 22727449
N-(1-benzylindazol-5-yl)-4-methylbenzenesulfonamide
CID 169370080
1-[3-[[4-[(1-benzylindazol-5-yl)-methylamino]-1,3,5-triazin-2-yl]amino]phenyl]-N-methylmethanesulfonamide
CID 23535613
5-[4-[(1-benzylindazol-5-yl)amino]quinazolin-6-yl]furan-2-carbaldehyde;hydrochloride
CID 86758083
4-N-(1-benzylindazol-5-yl)-6-N-[3-(1-oxo-1,4-thiazinan-4-yl)propyl]quinazoline-4,6-diamine
CID 67609255
N-(1-benzylindazol-5-yl)-6-(1-methylimidazol-2-yl)quinazolin-4-amine
CID 22609765
2-N-(1-benzylindazol-5-yl)-2-N-methyl-4-N-[3-[[methyl(pyridin-4-yl)amino]methyl]phenyl]-1,3,5-triazine-2,4-diamine
CID 23536276

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylindazol-5-yl)-6-chloropyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-(1-benzylindazol-5-yl)-6-chloropyrido[3,4-d]pyrimidin-2-amine (CID 90745460) is N-(1-benzylindazol-5-yl)-6-chloropyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-(1-benzylindazol-5-yl)-6-chloropyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-(1-benzylindazol-5-yl)-6-chloropyrido[3,4-d]pyrimidin-2-amine is Clc1cc2cnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)nc2cn1.
What is the InChIKey of N-(1-benzylindazol-5-yl)-6-chloropyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is DQFCYNRNTDFNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN6/c22-20-9-15-10-24-21(27-18(15)12-23-20)26-17-6-7-19-16(8-17)11-25-28(19)13-14-4-2-1-3-5-14/h1-12H,13H2,(H,24,26,27).
What are the key properties of N-(1-benzylindazol-5-yl)-6-chloropyrido[3,4-d]pyrimidin-2-amine?
N-(1-benzylindazol-5-yl)-6-chloropyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 386.85 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylindazol-5-yl)-6-chloropyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 90745460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).