2-[5-chloro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-4-pyridinyl]-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one

C19H20ClN5O3 — CID 171660863

IUPAC2-[5-chloro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-4-pyridinyl]-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1[nH]cc(C2CC2)n2nc(-c3cc(N[C@@H]4CCOC[C@H]4O)ncc3Cl)cc12
InChIInChI=1S/C19H20ClN5O3/c20-12-7-21-18(23-13-3-4-28-9-17(13)26)5-11(12)14-6-15-19(27)22-8-16(10-1-2-10)25(15)24-14/h5-8,10,13,17,26H,1-4,9H2,(H,21,23)(H,22,27)/t13-,17-/m1/s1
InChIKeyXZYFQNBOGMBMGK-CXAGYDPISA-N
MW401.85 g/mol
LogP2.18
Rot. Bonds4

About 2-[5-chloro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-4-pyridinyl]-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one

2-[5-chloro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-4-pyridinyl]-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 171660863) has the molecular formula C19H20ClN5O3 and a molecular weight of 401.85 g/mol. Its IUPAC name is 2-[5-chloro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-4-pyridinyl]-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[5-chloro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-4-pyridinyl]-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID171660863
Molecular FormulaC19H20ClN5O3
Molecular Weight401.85 g/mol
Exact Mass401.13
IUPAC Name2-[5-chloro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-4-pyridinyl]-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1[nH]cc(C2CC2)n2nc(-c3cc(N[C@@H]4CCOC[C@H]4O)ncc3Cl)cc12
InChIInChI=1S/C19H20ClN5O3/c20-12-7-21-18(23-13-3-4-28-9-17(13)26)5-11(12)14-6-15-19(27)22-8-16(10-1-2-10)25(15)24-14/h5-8,10,13,17,26H,1-4,9H2,(H,21,23)(H,22,27)/t13-,17-/m1/s1
InChIKeyXZYFQNBOGMBMGK-CXAGYDPISA-N
XLogP2.18
TPSA104.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[5-chloro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-4-pyridinyl]-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one with MolForge

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Related Compounds

(3S,4R)-4-[[5-chloro-4-[2-(1,1-dioxothian-4-yl)-4-pyridinyl]-2-pyridinyl]amino]oxan-3-ol
CID 171660780
(3S,4R)-4-[[5-chloro-4-(3-piperidin-3-yl-1,2,4-thiadiazol-5-yl)-2-pyridinyl]amino]oxan-3-ol
CID 171661468
(3S,4R)-4-[[5-chloro-4-[7-fluoro-2-(2-hydroxypropan-2-yl)-3-propan-2-ylbenzimidazol-5-yl]-2-pyridinyl]amino]oxan-3-ol
CID 175991384
2-bromo-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 171661478
(3S,4R)-4-[[5-chloro-4-[3-[(3R)-1,3-dimethylpiperidin-3-yl]-1,2,4-thiadiazol-5-yl]-2-pyridinyl]amino]oxan-3-ol
CID 171661372
(3S,4R)-4-[[7-[1-(2,2-difluoroethyl)piperidin-4-yl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol
CID 170062376
3-acetyl-1-cyclopentyl-7-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-4-methyl-1,6-naphthyridin-2-one
CID 155210486
(3S,4R)-4-[[5-chloro-4-(7-methyl-6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]oxan-3-ol
CID 171660640
(3S,4R)-4-[[7-[5-(2,2-difluorocyclopropyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol
CID 170063038
N-[3-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]oxan-4-yl]acetamide
CID 123735229
5-chloro-N-cyclohexyl-4-[6-(oxan-4-ylamino)-2-pyridinyl]pyridin-2-amine
CID 70795336
(3S,4R)-4-[[5-fluoro-7-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol
CID 169117997

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-4-pyridinyl]-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[5-chloro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-4-pyridinyl]-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 171660863) is 2-[5-chloro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-4-pyridinyl]-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[5-chloro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-4-pyridinyl]-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[5-chloro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-4-pyridinyl]-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one is O=c1[nH]cc(C2CC2)n2nc(-c3cc(N[C@@H]4CCOC[C@H]4O)ncc3Cl)cc12.
What is the InChIKey of 2-[5-chloro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-4-pyridinyl]-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is XZYFQNBOGMBMGK-CXAGYDPISA-N. The full InChI is InChI=1S/C19H20ClN5O3/c20-12-7-21-18(23-13-3-4-28-9-17(13)26)5-11(12)14-6-15-19(27)22-8-16(10-1-2-10)25(15)24-14/h5-8,10,13,17,26H,1-4,9H2,(H,21,23)(H,22,27)/t13-,17-/m1/s1.
What are the key properties of 2-[5-chloro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-4-pyridinyl]-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[5-chloro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-4-pyridinyl]-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 401.85 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-4-pyridinyl]-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 171660863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).