7-[(2R,5R)-2-(hydroxymethyl)-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one

C18H27N5O3 — CID 171479963

IUPAC7-[(2R,5R)-2-(hydroxymethyl)-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
SMILESC[C@@H]1CN(c2cc(=O)n(C)c3cn(C4CCCCO4)nc23)[C@@H](CO)CN1
InChIInChI=1S/C18H27N5O3/c1-12-9-22(13(11-24)8-19-12)14-7-16(25)21(2)15-10-23(20-18(14)15)17-5-3-4-6-26-17/h7,10,12-13,17,19,24H,3-6,8-9,11H2,1-2H3/t12-,13-,17?/m1/s1
InChIKeyMUXFAXAXSVWJAH-NURAXWSTSA-N
MW361.45 g/mol
LogP0.59
Rot. Bonds3

About 7-[(2R,5R)-2-(hydroxymethyl)-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one

7-[(2R,5R)-2-(hydroxymethyl)-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one (PubChem CID 171479963) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 7-[(2R,5R)-2-(hydroxymethyl)-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name7-[(2R,5R)-2-(hydroxymethyl)-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
PubChem CID171479963
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name7-[(2R,5R)-2-(hydroxymethyl)-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
SMILESC[C@@H]1CN(c2cc(=O)n(C)c3cn(C4CCCCO4)nc23)[C@@H](CO)CN1
InChIInChI=1S/C18H27N5O3/c1-12-9-22(13(11-24)8-19-12)14-7-16(25)21(2)15-10-23(20-18(14)15)17-5-3-4-6-26-17/h7,10,12-13,17,19,24H,3-6,8-9,11H2,1-2H3/t12-,13-,17?/m1/s1
InChIKeyMUXFAXAXSVWJAH-NURAXWSTSA-N
XLogP0.59
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

CID 171480013
CID 171480013
CID 171480233
CID 171480233
CID 171479917
CID 171479917
CID 171479919
CID 171479919
CID 171479972
CID 171479972
CID 171480027
CID 171480027
CID 171480081
CID 171480081
CID 171480118
CID 171480118
CID 171480142
CID 171480142
CID 171480157
CID 171480157
CID 171480182
CID 171480182
CID 171480234
CID 171480234

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,5R)-2-(hydroxymethyl)-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
The IUPAC name of 7-[(2R,5R)-2-(hydroxymethyl)-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one (CID 171479963) is 7-[(2R,5R)-2-(hydroxymethyl)-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one.
What is the SMILES notation for 7-[(2R,5R)-2-(hydroxymethyl)-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
The canonical SMILES for 7-[(2R,5R)-2-(hydroxymethyl)-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one is C[C@@H]1CN(c2cc(=O)n(C)c3cn(C4CCCCO4)nc23)[C@@H](CO)CN1.
What is the InChIKey of 7-[(2R,5R)-2-(hydroxymethyl)-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
The InChIKey is MUXFAXAXSVWJAH-NURAXWSTSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-12-9-22(13(11-24)8-19-12)14-7-16(25)21(2)15-10-23(20-18(14)15)17-5-3-4-6-26-17/h7,10,12-13,17,19,24H,3-6,8-9,11H2,1-2H3/t12-,13-,17?/m1/s1.
What are the key properties of 7-[(2R,5R)-2-(hydroxymethyl)-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
7-[(2R,5R)-2-(hydroxymethyl)-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one has a molecular weight of 361.45 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,5R)-2-(hydroxymethyl)-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one is sourced from PubChem (CID 171479963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).