1-cyclopentyl-N-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine

C30H28N6O — CID 137114593

IUPAC1-cyclopentyl-N-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
SMILESc1cc(-c2ccoc2)c2cc(-c3n[nH]c4ccc(-c5cncc(CNCC6CCCC6)c5)nc34)[nH]c2c1
InChIInChI=1S/C30H28N6O/c1-2-5-19(4-1)14-31-15-20-12-22(17-32-16-20)25-8-9-27-29(34-25)30(36-35-27)28-13-24-23(21-10-11-37-18-21)6-3-7-26(24)33-28/h3,6-13,16-19,31,33H,1-2,4-5,14-15H2,(H,35,36)
InChIKeyZYYOZYJFRGOVSY-UHFFFAOYSA-N
MW488.60 g/mol
LogP6.71
Rot. Bonds7

About 1-cyclopentyl-N-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine

1-cyclopentyl-N-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine (PubChem CID 137114593) has the molecular formula C30H28N6O and a molecular weight of 488.60 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
PubChem CID137114593
Molecular FormulaC30H28N6O
Molecular Weight488.60 g/mol
Exact Mass488.23
IUPAC Name1-cyclopentyl-N-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
SMILESc1cc(-c2ccoc2)c2cc(-c3n[nH]c4ccc(-c5cncc(CNCC6CCCC6)c5)nc34)[nH]c2c1
InChIInChI=1S/C30H28N6O/c1-2-5-19(4-1)14-31-15-20-12-22(17-32-16-20)25-8-9-27-29(34-25)30(36-35-27)28-13-24-23(21-10-11-37-18-21)6-3-7-26(24)33-28/h3,6-13,16-19,31,33H,1-2,4-5,14-15H2,(H,35,36)
InChIKeyZYYOZYJFRGOVSY-UHFFFAOYSA-N
XLogP6.71
TPSA95.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.60
LogP ≤ 56.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-N-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-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-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine?
The IUPAC name of 1-cyclopentyl-N-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine (CID 137114593) is 1-cyclopentyl-N-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-cyclopentyl-N-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-cyclopentyl-N-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine is c1cc(-c2ccoc2)c2cc(-c3n[nH]c4ccc(-c5cncc(CNCC6CCCC6)c5)nc34)[nH]c2c1.
What is the InChIKey of 1-cyclopentyl-N-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine?
The InChIKey is ZYYOZYJFRGOVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O/c1-2-5-19(4-1)14-31-15-20-12-22(17-32-16-20)25-8-9-27-29(34-25)30(36-35-27)28-13-24-23(21-10-11-37-18-21)6-3-7-26(24)33-28/h3,6-13,16-19,31,33H,1-2,4-5,14-15H2,(H,35,36).
What are the key properties of 1-cyclopentyl-N-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine?
1-cyclopentyl-N-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine has a molecular weight of 488.60 g/mol, XLogP of 6.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 137114593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).