(3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-methylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

C27H31N5O — CID 138560570

IUPAC(3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-methylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCc1cccc2cc(-c3nc4cc(C(=O)N5CCCC(N)C5)ccn4c3C)n(CC3CC3)c12
InChIInChI=1S/C27H31N5O/c1-17-5-3-6-20-13-23(32(26(17)20)15-19-8-9-19)25-18(2)31-12-10-21(14-24(31)29-25)27(33)30-11-4-7-22(28)16-30/h3,5-6,10,12-14,19,22H,4,7-9,11,15-16,28H2,1-2H3
InChIKeyXZYSMNJIZWOCEN-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.55
Rot. Bonds4

About (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-methylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

(3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-methylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (PubChem CID 138560570) has the molecular formula C27H31N5O and a molecular weight of 441.58 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-methylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-methylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
PubChem CID138560570
Molecular FormulaC27H31N5O
Molecular Weight441.58 g/mol
Exact Mass441.25
IUPAC Name(3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-methylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCc1cccc2cc(-c3nc4cc(C(=O)N5CCCC(N)C5)ccn4c3C)n(CC3CC3)c12
InChIInChI=1S/C27H31N5O/c1-17-5-3-6-20-13-23(32(26(17)20)15-19-8-9-19)25-18(2)31-12-10-21(14-24(31)29-25)27(33)30-11-4-7-22(28)16-30/h3,5-6,10,12-14,19,22H,4,7-9,11,15-16,28H2,1-2H3
InChIKeyXZYSMNJIZWOCEN-UHFFFAOYSA-N
XLogP4.55
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-fluoroindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138578778
(3R)-1-[1-[2-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine
CID 138579218
[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138562828
(3-aminopiperidin-1-yl)-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 155011359
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-(1-methylindol-2-yl)imidazo[1,2-a]pyridin-7-yl]methanone
CID 138561077
(3-aminopiperidin-1-yl)-[3-methyl-2-(1-methylindol-2-yl)imidazo[1,2-a]pyridin-7-yl]methanone
CID 138561079
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-4-[(1Z)-3-fluorobuta-1,3-dienyl]-5-methylpyrrol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 167262267
[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-fluoroindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138561279
[(3R)-3-aminopiperidin-1-yl]-[2-(2-ethylphenyl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138578596
(3-aminopiperidin-1-yl)-[2-[6-ethyl-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 167262140
(3-aminopiperidin-1-yl)-[2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138562799
1-[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-propylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine
CID 138578765

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-methylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-methylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (CID 138560570) is (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-methylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-methylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-methylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is Cc1cccc2cc(-c3nc4cc(C(=O)N5CCCC(N)C5)ccn4c3C)n(CC3CC3)c12.
What is the InChIKey of (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-methylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The InChIKey is XZYSMNJIZWOCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O/c1-17-5-3-6-20-13-23(32(26(17)20)15-19-8-9-19)25-18(2)31-12-10-21(14-24(31)29-25)27(33)30-11-4-7-22(28)16-30/h3,5-6,10,12-14,19,22H,4,7-9,11,15-16,28H2,1-2H3.
What are the key properties of (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-methylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
(3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-methylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone has a molecular weight of 441.58 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-methylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 138560570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).