(4R,5S)-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one

C23H27N5O — CID 92595797

IUPAC(4R,5S)-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one
SMILESCc1nc2ccccn2c1CN1C[C@@H](c2ccccn2)[C@@]2(CCCCC(=O)N2)C1
InChIInChI=1S/C23H27N5O/c1-17-20(28-13-7-4-9-21(28)25-17)15-27-14-18(19-8-3-6-12-24-19)23(16-27)11-5-2-10-22(29)26-23/h3-4,6-9,12-13,18H,2,5,10-11,14-16H2,1H3,(H,26,29)/t18-,23+/m0/s1
InChIKeyVKJGIVOMGIIMAD-FDDCHVKYSA-N
MW389.50 g/mol
LogP3.07
Rot. Bonds3

About (4R,5S)-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one

(4R,5S)-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one (PubChem CID 92595797) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is (4R,5S)-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one.

Molecular Properties

Compound Name(4R,5S)-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one
PubChem CID92595797
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name(4R,5S)-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one
SMILESCc1nc2ccccn2c1CN1C[C@@H](c2ccccn2)[C@@]2(CCCCC(=O)N2)C1
InChIInChI=1S/C23H27N5O/c1-17-20(28-13-7-4-9-21(28)25-17)15-27-14-18(19-8-3-6-12-24-19)23(16-27)11-5-2-10-22(29)26-23/h3-4,6-9,12-13,18H,2,5,10-11,14-16H2,1H3,(H,26,29)/t18-,23+/m0/s1
InChIKeyVKJGIVOMGIIMAD-FDDCHVKYSA-N
XLogP3.07
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one?
The IUPAC name of (4R,5S)-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one (CID 92595797) is (4R,5S)-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one.
What is the SMILES notation for (4R,5S)-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one?
The canonical SMILES for (4R,5S)-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one is Cc1nc2ccccn2c1CN1C[C@@H](c2ccccn2)[C@@]2(CCCCC(=O)N2)C1.
What is the InChIKey of (4R,5S)-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one?
The InChIKey is VKJGIVOMGIIMAD-FDDCHVKYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-17-20(28-13-7-4-9-21(28)25-17)15-27-14-18(19-8-3-6-12-24-19)23(16-27)11-5-2-10-22(29)26-23/h3-4,6-9,12-13,18H,2,5,10-11,14-16H2,1H3,(H,26,29)/t18-,23+/m0/s1.
What are the key properties of (4R,5S)-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one?
(4R,5S)-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one has a molecular weight of 389.50 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one is sourced from PubChem (CID 92595797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).