3-[4-[(3-fluorophenyl)methylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide

C25H25FN6O — CID 118240215

IUPAC3-[4-[(3-fluorophenyl)methylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
SMILESCc1nc2c(C(N)=O)cccn2c1-c1nc2c(c(NCc3cccc(F)c3)n1)CCCCC2
InChIInChI=1S/C25H25FN6O/c1-15-21(32-12-6-10-19(22(27)33)25(32)29-15)24-30-20-11-4-2-3-9-18(20)23(31-24)28-14-16-7-5-8-17(26)13-16/h5-8,10,12-13H,2-4,9,11,14H2,1H3,(H2,27,33)(H,28,30,31)
InChIKeyNPKFSJNSLLCSAD-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.22
Rot. Bonds5

About 3-[4-[(3-fluorophenyl)methylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide

3-[4-[(3-fluorophenyl)methylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 118240215) has the molecular formula C25H25FN6O and a molecular weight of 444.51 g/mol. Its IUPAC name is 3-[4-[(3-fluorophenyl)methylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name3-[4-[(3-fluorophenyl)methylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
PubChem CID118240215
Molecular FormulaC25H25FN6O
Molecular Weight444.51 g/mol
Exact Mass444.21
IUPAC Name3-[4-[(3-fluorophenyl)methylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
SMILESCc1nc2c(C(N)=O)cccn2c1-c1nc2c(c(NCc3cccc(F)c3)n1)CCCCC2
InChIInChI=1S/C25H25FN6O/c1-15-21(32-12-6-10-19(22(27)33)25(32)29-15)24-30-20-11-4-2-3-9-18(20)23(31-24)28-14-16-7-5-8-17(26)13-16/h5-8,10,12-13H,2-4,9,11,14H2,1H3,(H2,27,33)(H,28,30,31)
InChIKeyNPKFSJNSLLCSAD-UHFFFAOYSA-N
XLogP4.22
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[(3-fluorophenyl)methylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide with MolForge

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Related Compounds

3-[4-[(3-fluorophenyl)methylamino]-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 118240806
[3-[[[2-(8-carbamoyl-2-methylimidazo[1,2-a]pyridin-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]methyl]phenyl]boronic acid
CID 154501633
3-[4-(benzylamino)-5-methyl-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 118240097
[3-[[[5-carbamoyl-2-(8-carbamoyl-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]boronic acid
CID 145205774
3-[4-[(3-fluorophenyl)methylamino]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
CID 118240679
1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]indazole-4-carboxamide
CID 122685385
2-methyl-3-[7-methyl-4-(thiophen-2-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide
CID 118240542
2-methyl-3-[8-methyl-4-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide
CID 118239843
[3-[[[2-(8-carbamoyl-2-methylindolizin-3-yl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-yl]amino]methyl]phenyl]boronic acid
CID 145206208
2-fluoro-N-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 118240606
3-[4-[(3-fluorophenyl)methylamino]-9-methyl-5,6,7,8-tetrahydropyrimido[4,5-b]azepin-2-yl]-2-methyl-1H-indole-7-carboxamide
CID 118239739
2-methyl-3-[5-methyl-4-(thiophen-2-ylmethylamino)-6,7,8,9-tetrahydropyrimido[5,4-b]azepin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide;3-[5-methyl-4-(thiophen-2-ylmethylamino)-6,7,8,9-tetrahydropyrimido[5,4-b]azepin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
CID 118240033

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-fluorophenyl)methylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of 3-[4-[(3-fluorophenyl)methylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide (CID 118240215) is 3-[4-[(3-fluorophenyl)methylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for 3-[4-[(3-fluorophenyl)methylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for 3-[4-[(3-fluorophenyl)methylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide is Cc1nc2c(C(N)=O)cccn2c1-c1nc2c(c(NCc3cccc(F)c3)n1)CCCCC2.
What is the InChIKey of 3-[4-[(3-fluorophenyl)methylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is NPKFSJNSLLCSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O/c1-15-21(32-12-6-10-19(22(27)33)25(32)29-15)24-30-20-11-4-2-3-9-18(20)23(31-24)28-14-16-7-5-8-17(26)13-16/h5-8,10,12-13H,2-4,9,11,14H2,1H3,(H2,27,33)(H,28,30,31).
What are the key properties of 3-[4-[(3-fluorophenyl)methylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide?
3-[4-[(3-fluorophenyl)methylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-fluorophenyl)methylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 118240215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).