1-[(3S)-3-methylpiperidin-1-yl]-3-[4-(oxan-4-ylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propan-1-one

C20H29N5O2 — CID 66828970

IUPAC1-[(3S)-3-methylpiperidin-1-yl]-3-[4-(oxan-4-ylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propan-1-one
SMILESC[C@H]1CCCN(C(=O)CCc2[nH]nc3ccnc(NC4CCOCC4)c23)C1
InChIInChI=1S/C20H29N5O2/c1-14-3-2-10-25(13-14)18(26)5-4-16-19-17(24-23-16)6-9-21-20(19)22-15-7-11-27-12-8-15/h6,9,14-15H,2-5,7-8,10-13H2,1H3,(H,21,22)(H,23,24)/t14-/m0/s1
InChIKeyMWDNZQJQNNVTLR-AWEZNQCLSA-N
MW371.49 g/mol
LogP2.74
Rot. Bonds5

About 1-[(3S)-3-methylpiperidin-1-yl]-3-[4-(oxan-4-ylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propan-1-one

1-[(3S)-3-methylpiperidin-1-yl]-3-[4-(oxan-4-ylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propan-1-one (PubChem CID 66828970) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-[(3S)-3-methylpiperidin-1-yl]-3-[4-(oxan-4-ylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-methylpiperidin-1-yl]-3-[4-(oxan-4-ylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propan-1-one
PubChem CID66828970
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name1-[(3S)-3-methylpiperidin-1-yl]-3-[4-(oxan-4-ylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propan-1-one
SMILESC[C@H]1CCCN(C(=O)CCc2[nH]nc3ccnc(NC4CCOCC4)c23)C1
InChIInChI=1S/C20H29N5O2/c1-14-3-2-10-25(13-14)18(26)5-4-16-19-17(24-23-16)6-9-21-20(19)22-15-7-11-27-12-8-15/h6,9,14-15H,2-5,7-8,10-13H2,1H3,(H,21,22)(H,23,24)/t14-/m0/s1
InChIKeyMWDNZQJQNNVTLR-AWEZNQCLSA-N
XLogP2.74
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 46912923
4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one;3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]propan-1-one;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one
CID 161275867
3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(3,3-difluoropiperidin-1-yl)propan-1-one;1-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-5-(3-fluorophenyl)pentan-3-one;1-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-fluorophenyl)pentan-3-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-methyl-N-(2-phenylethyl)propanamide;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3S)-3-phenylpiperidin-1-yl]propan-1-one;1-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-5-pyridin-4-ylpentan-3-one;sulfane
CID 161191171
3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 94133767
(3-methylpyrrolidin-1-yl)-[2-[4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridin-3-yl]cyclopropyl]methanone
CID 71007785
2-(2H-indazol-3-yl)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 47803990
4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 135667510
6-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 17475089
1-[3-(methylamino)piperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione;hydrochloride
CID 119493333
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
1-(3-methylpiperidin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
CID 110649386
1-[(3R)-3-methylpiperidin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone
CID 95875447

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-methylpiperidin-1-yl]-3-[4-(oxan-4-ylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propan-1-one?
The IUPAC name of 1-[(3S)-3-methylpiperidin-1-yl]-3-[4-(oxan-4-ylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propan-1-one (CID 66828970) is 1-[(3S)-3-methylpiperidin-1-yl]-3-[4-(oxan-4-ylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propan-1-one.
What is the SMILES notation for 1-[(3S)-3-methylpiperidin-1-yl]-3-[4-(oxan-4-ylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propan-1-one?
The canonical SMILES for 1-[(3S)-3-methylpiperidin-1-yl]-3-[4-(oxan-4-ylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propan-1-one is C[C@H]1CCCN(C(=O)CCc2[nH]nc3ccnc(NC4CCOCC4)c23)C1.
What is the InChIKey of 1-[(3S)-3-methylpiperidin-1-yl]-3-[4-(oxan-4-ylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propan-1-one?
The InChIKey is MWDNZQJQNNVTLR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-14-3-2-10-25(13-14)18(26)5-4-16-19-17(24-23-16)6-9-21-20(19)22-15-7-11-27-12-8-15/h6,9,14-15H,2-5,7-8,10-13H2,1H3,(H,21,22)(H,23,24)/t14-/m0/s1.
What are the key properties of 1-[(3S)-3-methylpiperidin-1-yl]-3-[4-(oxan-4-ylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propan-1-one?
1-[(3S)-3-methylpiperidin-1-yl]-3-[4-(oxan-4-ylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propan-1-one has a molecular weight of 371.49 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-methylpiperidin-1-yl]-3-[4-(oxan-4-ylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propan-1-one is sourced from PubChem (CID 66828970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).