[(3R)-3-aminopiperidin-1-yl]-[2-[7-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

C29H27ClFN5O — CID 138565852

IUPAC[(3R)-3-aminopiperidin-1-yl]-[2-[7-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCc1c(-c2cc3cccc(Cl)c3n2Cc2ccc(F)cc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12
InChIInChI=1S/C29H27ClFN5O/c1-18-27(33-26-15-21(11-13-35(18)26)29(37)34-12-3-5-23(32)17-34)25-14-20-4-2-6-24(30)28(20)36(25)16-19-7-9-22(31)10-8-19/h2,4,6-11,13-15,23H,3,5,12,16-17,32H2,1H3/t23-/m1/s1
InChIKeyRQLPGYDUCLQRSB-HSZRJFAPSA-N
MW516.02 g/mol
LogP5.67
Rot. Bonds4

About [(3R)-3-aminopiperidin-1-yl]-[2-[7-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

[(3R)-3-aminopiperidin-1-yl]-[2-[7-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (PubChem CID 138565852) has the molecular formula C29H27ClFN5O and a molecular weight of 516.02 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-[7-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[2-[7-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
PubChem CID138565852
Molecular FormulaC29H27ClFN5O
Molecular Weight516.02 g/mol
Exact Mass515.19
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[2-[7-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCc1c(-c2cc3cccc(Cl)c3n2Cc2ccc(F)cc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12
InChIInChI=1S/C29H27ClFN5O/c1-18-27(33-26-15-21(11-13-35(18)26)29(37)34-12-3-5-23(32)17-34)25-14-20-4-2-6-24(30)28(20)36(25)16-19-7-9-22(31)10-8-19/h2,4,6-11,13-15,23H,3,5,12,16-17,32H2,1H3/t23-/m1/s1
InChIKeyRQLPGYDUCLQRSB-HSZRJFAPSA-N
XLogP5.67
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.02
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[7-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[7-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (CID 138565852) is [(3R)-3-aminopiperidin-1-yl]-[2-[7-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[2-[7-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[2-[7-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is Cc1c(-c2cc3cccc(Cl)c3n2Cc2ccc(F)cc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[2-[7-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The InChIKey is RQLPGYDUCLQRSB-HSZRJFAPSA-N. The full InChI is InChI=1S/C29H27ClFN5O/c1-18-27(33-26-15-21(11-13-35(18)26)29(37)34-12-3-5-23(32)17-34)25-14-20-4-2-6-24(30)28(20)36(25)16-19-7-9-22(31)10-8-19/h2,4,6-11,13-15,23H,3,5,12,16-17,32H2,1H3/t23-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[2-[7-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[2-[7-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone has a molecular weight of 516.02 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[2-[7-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 138565852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).