5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridin-3-ol

C24H25N9O2 — CID 168678886

IUPAC5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridin-3-ol
SMILESCc1nn(-c2cncc(O)c2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12
InChIInChI=1S/C24H25N9O2/c1-14-13-35-7-6-31(14)22-9-21(33-24(28-22)19(12-27-33)20-4-5-26-29-20)23-15(2)30-32(16(23)3)17-8-18(34)11-25-10-17/h4-5,8-12,14,34H,6-7,13H2,1-3H3,(H,26,29)/t14-/m1/s1
InChIKeyMKJVOBGXWFASKU-CQSZACIVSA-N
MW471.53 g/mol
LogP2.91
Rot. Bonds4

About 5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridin-3-ol

5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridin-3-ol (PubChem CID 168678886) has the molecular formula C24H25N9O2 and a molecular weight of 471.53 g/mol. Its IUPAC name is 5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridin-3-ol
PubChem CID168678886
Molecular FormulaC24H25N9O2
Molecular Weight471.53 g/mol
Exact Mass471.21
IUPAC Name5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridin-3-ol
SMILESCc1nn(-c2cncc(O)c2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12
InChIInChI=1S/C24H25N9O2/c1-14-13-35-7-6-31(14)22-9-21(33-24(28-22)19(12-27-33)20-4-5-26-29-20)23-15(2)30-32(16(23)3)17-8-18(34)11-25-10-17/h4-5,8-12,14,34H,6-7,13H2,1-3H3,(H,26,29)/t14-/m1/s1
InChIKeyMKJVOBGXWFASKU-CQSZACIVSA-N
XLogP2.91
TPSA122.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridin-3-ol?
The IUPAC name of 5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridin-3-ol (CID 168678886) is 5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridin-3-ol?
The canonical SMILES for 5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridin-3-ol is Cc1nn(-c2cncc(O)c2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12.
What is the InChIKey of 5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridin-3-ol?
The InChIKey is MKJVOBGXWFASKU-CQSZACIVSA-N. The full InChI is InChI=1S/C24H25N9O2/c1-14-13-35-7-6-31(14)22-9-21(33-24(28-22)19(12-27-33)20-4-5-26-29-20)23-15(2)30-32(16(23)3)17-8-18(34)11-25-10-17/h4-5,8-12,14,34H,6-7,13H2,1-3H3,(H,26,29)/t14-/m1/s1.
What are the key properties of 5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridin-3-ol?
5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridin-3-ol has a molecular weight of 471.53 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-dimethyl-4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazol-1-yl]pyridin-3-ol is sourced from PubChem (CID 168678886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).