1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine

C29H27N7S — CID 136643031

IUPAC1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
SMILESc1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CNCC7CCCC7)c6)cc45)nc23)cs1
InChIInChI=1S/C29H27N7S/c1-2-4-18(3-1)11-30-12-19-9-22(14-31-13-19)20-5-6-25-23(10-20)28(36-35-25)29-33-26-16-32-15-24(27(26)34-29)21-7-8-37-17-21/h5-10,13-18,30H,1-4,11-12H2,(H,33,34)(H,35,36)
InChIKeyMIAUMPXETGHRRI-UHFFFAOYSA-N
MW505.65 g/mol
LogP6.57
Rot. Bonds7

About 1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine

1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine (PubChem CID 136643031) has the molecular formula C29H27N7S and a molecular weight of 505.65 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
PubChem CID136643031
Molecular FormulaC29H27N7S
Molecular Weight505.65 g/mol
Exact Mass505.20
IUPAC Name1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
SMILESc1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CNCC7CCCC7)c6)cc45)nc23)cs1
InChIInChI=1S/C29H27N7S/c1-2-4-18(3-1)11-30-12-19-9-22(14-31-13-19)20-5-6-25-23(10-20)28(36-35-25)29-33-26-16-32-15-24(27(26)34-29)21-7-8-37-17-21/h5-10,13-18,30H,1-4,11-12H2,(H,33,34)(H,35,36)
InChIKeyMIAUMPXETGHRRI-UHFFFAOYSA-N
XLogP6.57
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.65
LogP ≤ 56.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?
The IUPAC name of 1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine (CID 136643031) is 1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine is c1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CNCC7CCCC7)c6)cc45)nc23)cs1.
What is the InChIKey of 1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?
The InChIKey is MIAUMPXETGHRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7S/c1-2-4-18(3-1)11-30-12-19-9-22(14-31-13-19)20-5-6-25-23(10-20)28(36-35-25)29-33-26-16-32-15-24(27(26)34-29)21-7-8-37-17-21/h5-10,13-18,30H,1-4,11-12H2,(H,33,34)(H,35,36).
What are the key properties of 1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?
1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine has a molecular weight of 505.65 g/mol, XLogP of 6.57, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 136643031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).