(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

C22H27ClN6O2 — CID 171660640

IUPAC(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
SMILESCc1c(C2CCNCC2)ccc2c(-c3nc(N[C@@H]4CCOC[C@H]4O)ncc3Cl)cnn12
InChIInChI=1S/C22H27ClN6O2/c1-13-15(14-4-7-24-8-5-14)2-3-19-16(10-26-29(13)19)21-17(23)11-25-22(28-21)27-18-6-9-31-12-20(18)30/h2-3,10-11,14,18,20,24,30H,4-9,12H2,1H3,(H,25,27,28)/t18-,20-/m1/s1
InChIKeyFZFKQTWMVNZYQG-UYAOXDASSA-N
MW442.95 g/mol
LogP2.78
Rot. Bonds4

About (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

(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 (PubChem CID 171660640) has the molecular formula C22H27ClN6O2 and a molecular weight of 442.95 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID171660640
Molecular FormulaC22H27ClN6O2
Molecular Weight442.95 g/mol
Exact Mass442.19
IUPAC Name(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
SMILESCc1c(C2CCNCC2)ccc2c(-c3nc(N[C@@H]4CCOC[C@H]4O)ncc3Cl)cnn12
InChIInChI=1S/C22H27ClN6O2/c1-13-15(14-4-7-24-8-5-14)2-3-19-16(10-26-29(13)19)21-17(23)11-25-22(28-21)27-18-6-9-31-12-20(18)30/h2-3,10-11,14,18,20,24,30H,4-9,12H2,1H3,(H,25,27,28)/t18-,20-/m1/s1
InChIKeyFZFKQTWMVNZYQG-UYAOXDASSA-N
XLogP2.78
TPSA96.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Related Compounds

(3S,4S)-4-[[5-chloro-4-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]oxan-3-ol
CID 171659620
(3S,4R)-4-[[4-[4-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]-5-chloropyrimidin-2-yl]amino]oxan-3-ol
CID 171660238
5-[5-chloro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]pyrimidin-4-yl]-1-propan-2-yl-2H-pyridin-2-ol
CID 171660852
5-chloro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine;oxan-3-ol
CID 171659421
(3S,4R)-4-[[5-chloro-4-[(2R)-5-fluoro-2-(2-hydroxypropan-2-yl)-11-methyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-7-yl]pyrimidin-2-yl]amino]oxan-3-ol
CID 175764506
(3S,4R)-4-[[4-[2-(azetidin-3-yl)-7-fluoro-3-propan-2-ylbenzimidazol-5-yl]-5-chloropyrimidin-2-yl]amino]oxan-3-ol
CID 146219828
(3S,4E)-4-[5-chloro-4-(6-piperidin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]iminooxan-3-ol
CID 171659592
5-[5-chloro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]pyrimidin-4-yl]-1-(2-methylsulfonylethyl)pyridin-2-one
CID 171660278
(3S,4R)-4-[[5-chloro-4-[4-(2-hydroxypropan-2-yl)quinolin-6-yl]pyrimidin-2-yl]amino]oxan-3-ol
CID 175991294
7-[5-chloro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]pyrimidin-4-yl]-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-8-fluoro-3-methyl-1-propan-2-ylquinolin-4-one
CID 177132765
4-[[5-chloro-4-[5-fluoro-2-(2-hydroxypropan-2-yl)-11-methyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-7-yl]pyrimidin-2-yl]amino]oxan-3-ol
CID 170440661
(3S,4R)-4-[[2-(1-methylpiperidin-4-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]oxan-3-ol
CID 171661160

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1c(C2CCNCC2)ccc2c(-c3nc(N[C@@H]4CCOC[C@H]4O)ncc3Cl)cnn12.
What is the InChIKey of (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?
The InChIKey is FZFKQTWMVNZYQG-UYAOXDASSA-N. The full InChI is InChI=1S/C22H27ClN6O2/c1-13-15(14-4-7-24-8-5-14)2-3-19-16(10-26-29(13)19)21-17(23)11-25-22(28-21)27-18-6-9-31-12-20(18)30/h2-3,10-11,14,18,20,24,30H,4-9,12H2,1H3,(H,25,27,28)/t18-,20-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 442.95 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 171660640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).