[(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

C27H32FN5O — CID 167262267

IUPAC[(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
SMILESC=C(F)/C=C\c1cc(-c2nc3cc(C(=O)N4CCC[C@@H](N)C4)ccn3c2C)n(CC2CC2)c1C
InChIInChI=1S/C27H32FN5O/c1-17(28)6-9-21-13-24(33(18(21)2)15-20-7-8-20)26-19(3)32-12-10-22(14-25(32)30-26)27(34)31-11-4-5-23(29)16-31/h6,9-10,12-14,20,23H,1,4-5,7-8,11,15-16,29H2,2-3H3/b9-6-/t23-/m1/s1
InChIKeyWYFXPKDDQGFVAC-FBQZBAQISA-N
MW461.59 g/mol
LogP4.89
Rot. Bonds6

About [(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

[(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 (PubChem CID 167262267) has the molecular formula C27H32FN5O and a molecular weight of 461.59 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID167262267
Molecular FormulaC27H32FN5O
Molecular Weight461.59 g/mol
Exact Mass461.26
IUPAC Name[(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
SMILESC=C(F)/C=C\c1cc(-c2nc3cc(C(=O)N4CCC[C@@H](N)C4)ccn3c2C)n(CC2CC2)c1C
InChIInChI=1S/C27H32FN5O/c1-17(28)6-9-21-13-24(33(18(21)2)15-20-7-8-20)26-19(3)32-12-10-22(14-25(32)30-26)27(34)31-11-4-5-23(29)16-31/h6,9-10,12-14,20,23H,1,4-5,7-8,11,15-16,29H2,2-3H3/b9-6-/t23-/m1/s1
InChIKeyWYFXPKDDQGFVAC-FBQZBAQISA-N
XLogP4.89
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-methylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138560570
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-fluoroindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138578778
[(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-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138562828
(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]-[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-(2-ethylphenyl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138578596
(3-aminopiperidin-1-yl)-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 155011359
(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
2-[7-(3-aminopiperidine-1-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carbaldehyde
CID 164555283

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is C=C(F)/C=C\c1cc(-c2nc3cc(C(=O)N4CCC[C@@H](N)C4)ccn3c2C)n(CC2CC2)c1C.
What is the InChIKey of [(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?
The InChIKey is WYFXPKDDQGFVAC-FBQZBAQISA-N. The full InChI is InChI=1S/C27H32FN5O/c1-17(28)6-9-21-13-24(33(18(21)2)15-20-7-8-20)26-19(3)32-12-10-22(14-25(32)30-26)27(34)31-11-4-5-23(29)16-31/h6,9-10,12-14,20,23H,1,4-5,7-8,11,15-16,29H2,2-3H3/b9-6-/t23-/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 461.59 g/mol, XLogP of 4.89, 6 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-[1-(cyclopropylmethyl)-4-[(1Z)-3-fluorobuta-1,3-dienyl]-5-methylpyrrol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 167262267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).