N-benzyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine

C33H34N6 — CID 134327569

IUPACN-benzyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine
SMILESCN1CCN(c2ccc(-c3n[nH]c4ccc(-c5cccc6c5CCC6NCc5ccccc5)nc34)cc2)CC1
InChIInChI=1S/C33H34N6/c1-38-18-20-39(21-19-38)25-12-10-24(11-13-25)32-33-31(36-37-32)17-16-30(35-33)28-9-5-8-27-26(28)14-15-29(27)34-22-23-6-3-2-4-7-23/h2-13,16-17,29,34H,14-15,18-22H2,1H3,(H,36,37)
InChIKeyQMVFOXQFSOPYPQ-UHFFFAOYSA-N
MW514.68 g/mol
LogP5.82
Rot. Bonds6

About N-benzyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine

N-benzyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 134327569) has the molecular formula C33H34N6 and a molecular weight of 514.68 g/mol. Its IUPAC name is N-benzyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-benzyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine
PubChem CID134327569
Molecular FormulaC33H34N6
Molecular Weight514.68 g/mol
Exact Mass514.28
IUPAC NameN-benzyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine
SMILESCN1CCN(c2ccc(-c3n[nH]c4ccc(-c5cccc6c5CCC6NCc5ccccc5)nc34)cc2)CC1
InChIInChI=1S/C33H34N6/c1-38-18-20-39(21-19-38)25-12-10-24(11-13-25)32-33-31(36-37-32)17-16-30(35-33)28-9-5-8-27-26(28)14-15-29(27)34-22-23-6-3-2-4-7-23/h2-13,16-17,29,34H,14-15,18-22H2,1H3,(H,36,37)
InChIKeyQMVFOXQFSOPYPQ-UHFFFAOYSA-N
XLogP5.82
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.68
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]benzonitrile
CID 134327531
8-fluoro-7-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]quinoline
CID 134326986
3,5-diphenyl-1H-pyrazolo[4,3-b]pyridine
CID 67256316
N-benzyl-6-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 68801004
3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine
CID 137114900
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137109496
1-cyclopentyl-N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 136509565
5-[3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]-3-[5-(1-methylpiperidin-3-yl)-1H-1,2,4-triazol-3-yl]pyrazin-2-amine
CID 68650991
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137112688
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine
CID 70794404
3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137109131

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-benzyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine (CID 134327569) is N-benzyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-benzyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-benzyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine is CN1CCN(c2ccc(-c3n[nH]c4ccc(-c5cccc6c5CCC6NCc5ccccc5)nc34)cc2)CC1.
What is the InChIKey of N-benzyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is QMVFOXQFSOPYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N6/c1-38-18-20-39(21-19-38)25-12-10-24(11-13-25)32-33-31(36-37-32)17-16-30(35-33)28-9-5-8-27-26(28)14-15-29(27)34-22-23-6-3-2-4-7-23/h2-13,16-17,29,34H,14-15,18-22H2,1H3,(H,36,37).
What are the key properties of N-benzyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine?
N-benzyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 514.68 g/mol, XLogP of 5.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 134327569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).