1-cyclopentyl-N-[[5-[5-fluoro-4-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]methanamine

C29H27FN8O — CID 145039040

IUPAC1-cyclopentyl-N-[[5-[5-fluoro-4-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]methanamine
SMILESFc1c(-c2cncc(CNCC3CCCC3)c2)cnc2c1C(c1nc3c(-c4ccoc4)nccc3[nH]1)=NCN2
InChIInChI=1S/C29H27FN8O/c30-24-21(20-9-18(12-32-13-20)11-31-10-17-3-1-2-4-17)14-34-28-23(24)27(35-16-36-28)29-37-22-5-7-33-25(26(22)38-29)19-6-8-39-15-19/h5-9,12-15,17,31H,1-4,10-11,16H2,(H,34,36)(H,37,38)
InChIKeyDVWQJGJHANEBOL-UHFFFAOYSA-N
MW522.59 g/mol
LogP5.31
Rot. Bonds7

About 1-cyclopentyl-N-[[5-[5-fluoro-4-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]methanamine

1-cyclopentyl-N-[[5-[5-fluoro-4-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]methanamine (PubChem CID 145039040) has the molecular formula C29H27FN8O and a molecular weight of 522.59 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[5-fluoro-4-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[[5-[5-fluoro-4-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]methanamine
PubChem CID145039040
Molecular FormulaC29H27FN8O
Molecular Weight522.59 g/mol
Exact Mass522.23
IUPAC Name1-cyclopentyl-N-[[5-[5-fluoro-4-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]methanamine
SMILESFc1c(-c2cncc(CNCC3CCCC3)c2)cnc2c1C(c1nc3c(-c4ccoc4)nccc3[nH]1)=NCN2
InChIInChI=1S/C29H27FN8O/c30-24-21(20-9-18(12-32-13-20)11-31-10-17-3-1-2-4-17)14-34-28-23(24)27(35-16-36-28)29-37-22-5-7-33-25(26(22)38-29)19-6-8-39-15-19/h5-9,12-15,17,31H,1-4,10-11,16H2,(H,34,36)(H,37,38)
InChIKeyDVWQJGJHANEBOL-UHFFFAOYSA-N
XLogP5.31
TPSA116.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.59
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-cyclopentyl-N-[[5-[5-fluoro-4-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

Roscovitine derivative 1
CID 73353575
4'-(2-furyl)-N-pyrazin-2-yl-4,5'-bipyrimidin-2'-amine
CID 11565927
5-(2-furyl)-6-pyrimidin-4-yl-3H-imidazo[4,5-b]pyridine
CID 11952504
6-(2-Furyl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 11952665
2-[2-(4-fluorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 23025783
4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 25165372
N2-(4-amino-cyclohexyl)-9-cyclopentyl-N6-(6-furan-3-yl-pyridin-3-ylmethyl)-9H-purine-2,6-diamine
CID 73350613
N-[4-fluoro-3-[6-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 76314293
4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206993
(5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl)-(4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 49822240
US10987354, Example 3
CID 135136904
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136944955

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[[5-[5-fluoro-4-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]methanamine?
The IUPAC name of 1-cyclopentyl-N-[[5-[5-fluoro-4-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]methanamine (CID 145039040) is 1-cyclopentyl-N-[[5-[5-fluoro-4-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-cyclopentyl-N-[[5-[5-fluoro-4-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-cyclopentyl-N-[[5-[5-fluoro-4-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]methanamine is Fc1c(-c2cncc(CNCC3CCCC3)c2)cnc2c1C(c1nc3c(-c4ccoc4)nccc3[nH]1)=NCN2.
What is the InChIKey of 1-cyclopentyl-N-[[5-[5-fluoro-4-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]methanamine?
The InChIKey is DVWQJGJHANEBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN8O/c30-24-21(20-9-18(12-32-13-20)11-31-10-17-3-1-2-4-17)14-34-28-23(24)27(35-16-36-28)29-37-22-5-7-33-25(26(22)38-29)19-6-8-39-15-19/h5-9,12-15,17,31H,1-4,10-11,16H2,(H,34,36)(H,37,38).
What are the key properties of 1-cyclopentyl-N-[[5-[5-fluoro-4-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]methanamine?
1-cyclopentyl-N-[[5-[5-fluoro-4-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]methanamine has a molecular weight of 522.59 g/mol, XLogP of 5.31, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[[5-[5-fluoro-4-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 145039040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).