1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine

C28H25FN8O — CID 137056592

IUPAC1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
SMILESFc1c(-c2cncc(CNCC3CCCC3)c2)cnc2n[nH]c(-c3nc4nccc(-c5ccoc5)c4[nH]3)c12
InChIInChI=1S/C28H25FN8O/c29-23-21(19-9-17(12-31-13-19)11-30-10-16-3-1-2-4-16)14-33-26-22(23)25(36-37-26)28-34-24-20(18-6-8-38-15-18)5-7-32-27(24)35-28/h5-9,12-16,30H,1-4,10-11H2,(H,32,34,35)(H,33,36,37)
InChIKeyIJLORICUSYZHMM-UHFFFAOYSA-N
MW508.56 g/mol
LogP5.64
Rot. Bonds7

About 1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine

1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine (PubChem CID 137056592) has the molecular formula C28H25FN8O and a molecular weight of 508.56 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
PubChem CID137056592
Molecular FormulaC28H25FN8O
Molecular Weight508.56 g/mol
Exact Mass508.21
IUPAC Name1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
SMILESFc1c(-c2cncc(CNCC3CCCC3)c2)cnc2n[nH]c(-c3nc4nccc(-c5ccoc5)c4[nH]3)c12
InChIInChI=1S/C28H25FN8O/c29-23-21(19-9-17(12-31-13-19)11-30-10-16-3-1-2-4-16)14-33-26-22(23)25(36-37-26)28-34-24-20(18-6-8-38-15-18)5-7-32-27(24)35-28/h5-9,12-16,30H,1-4,10-11H2,(H,32,34,35)(H,33,36,37)
InChIKeyIJLORICUSYZHMM-UHFFFAOYSA-N
XLogP5.64
TPSA121.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.56
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-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-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine?
The IUPAC name of 1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine (CID 137056592) is 1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine is Fc1c(-c2cncc(CNCC3CCCC3)c2)cnc2n[nH]c(-c3nc4nccc(-c5ccoc5)c4[nH]3)c12.
What is the InChIKey of 1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine?
The InChIKey is IJLORICUSYZHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN8O/c29-23-21(19-9-17(12-31-13-19)11-30-10-16-3-1-2-4-16)14-33-26-22(23)25(36-37-26)28-34-24-20(18-6-8-38-15-18)5-7-32-27(24)35-28/h5-9,12-16,30H,1-4,10-11H2,(H,32,34,35)(H,33,36,37).
What are the key properties of 1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine?
1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine has a molecular weight of 508.56 g/mol, XLogP of 5.64, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 137056592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).