[5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol

C27H36N6O — CID 145424516

IUPAC[5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C5CC5)CC4)n3c2CO)N1C
InChIInChI=1S/C27H36N6O/c1-19-6-5-13-28-26(19)21-7-3-8-22(30(21)2)27-23(18-34)33-24(29-27)9-4-10-25(33)32-16-14-31(15-17-32)20-11-12-20/h4-6,9-10,13,20-22,34H,3,7-8,11-12,14-18H2,1-2H3/t21-,22+/m0/s1
InChIKeyKOPFWLOWJUOUIC-FCHUYYIVSA-N
MW460.63 g/mol
LogP3.71
Rot. Bonds5

About [5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol

[5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol (PubChem CID 145424516) has the molecular formula C27H36N6O and a molecular weight of 460.63 g/mol. Its IUPAC name is [5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol
PubChem CID145424516
Molecular FormulaC27H36N6O
Molecular Weight460.63 g/mol
Exact Mass460.30
IUPAC Name[5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C5CC5)CC4)n3c2CO)N1C
InChIInChI=1S/C27H36N6O/c1-19-6-5-13-28-26(19)21-7-3-8-22(30(21)2)27-23(18-34)33-24(29-27)9-4-10-25(33)32-16-14-31(15-17-32)20-11-12-20/h4-6,9-10,13,20-22,34H,3,7-8,11-12,14-18H2,1-2H3/t21-,22+/m0/s1
InChIKeyKOPFWLOWJUOUIC-FCHUYYIVSA-N
XLogP3.71
TPSA60.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.63
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
The IUPAC name of [5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol (CID 145424516) is [5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol.
What is the SMILES notation for [5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
The canonical SMILES for [5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C5CC5)CC4)n3c2CO)N1C.
What is the InChIKey of [5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
The InChIKey is KOPFWLOWJUOUIC-FCHUYYIVSA-N. The full InChI is InChI=1S/C27H36N6O/c1-19-6-5-13-28-26(19)21-7-3-8-22(30(21)2)27-23(18-34)33-24(29-27)9-4-10-25(33)32-16-14-31(15-17-32)20-11-12-20/h4-6,9-10,13,20-22,34H,3,7-8,11-12,14-18H2,1-2H3/t21-,22+/m0/s1.
What are the key properties of [5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol?
[5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol has a molecular weight of 460.63 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]methanol is sourced from PubChem (CID 145424516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).