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]pyridine-3-carboxamide

C25H26N10O2 — CID 168678885

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]pyridine-3-carboxamide
SMILESCc1nn(-c2cncc(C(N)=O)c2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12
InChIInChI=1S/C25H26N10O2/c1-14-13-37-7-6-33(14)22-9-21(35-25(30-22)19(12-29-35)20-4-5-28-31-20)23-15(2)32-34(16(23)3)18-8-17(24(26)36)10-27-11-18/h4-5,8-12,14H,6-7,13H2,1-3H3,(H2,26,36)(H,28,31)/t14-/m1/s1
InChIKeyRCMYWDFTVJUSRY-CQSZACIVSA-N
MW498.55 g/mol
LogP2.31
Rot. Bonds5

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]pyridine-3-carboxamide

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]pyridine-3-carboxamide (PubChem CID 168678885) has the molecular formula C25H26N10O2 and a molecular weight of 498.55 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]pyridine-3-carboxamide.

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]pyridine-3-carboxamide
PubChem CID168678885
Molecular FormulaC25H26N10O2
Molecular Weight498.55 g/mol
Exact Mass498.22
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]pyridine-3-carboxamide
SMILESCc1nn(-c2cncc(C(N)=O)c2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12
InChIInChI=1S/C25H26N10O2/c1-14-13-37-7-6-33(14)22-9-21(35-25(30-22)19(12-29-35)20-4-5-28-31-20)23-15(2)32-34(16(23)3)18-8-17(24(26)36)10-27-11-18/h4-5,8-12,14H,6-7,13H2,1-3H3,(H2,26,36)(H,28,31)/t14-/m1/s1
InChIKeyRCMYWDFTVJUSRY-CQSZACIVSA-N
XLogP2.31
TPSA145.14 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.55
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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]pyridine-3-carboxamide?
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]pyridine-3-carboxamide (CID 168678885) 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]pyridine-3-carboxamide.
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]pyridine-3-carboxamide?
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]pyridine-3-carboxamide is Cc1nn(-c2cncc(C(N)=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]pyridine-3-carboxamide?
The InChIKey is RCMYWDFTVJUSRY-CQSZACIVSA-N. The full InChI is InChI=1S/C25H26N10O2/c1-14-13-37-7-6-33(14)22-9-21(35-25(30-22)19(12-29-35)20-4-5-28-31-20)23-15(2)32-34(16(23)3)18-8-17(24(26)36)10-27-11-18/h4-5,8-12,14H,6-7,13H2,1-3H3,(H2,26,36)(H,28,31)/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]pyridine-3-carboxamide?
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]pyridine-3-carboxamide has a molecular weight of 498.55 g/mol, XLogP of 2.31, 5 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]pyridine-3-carboxamide is sourced from PubChem (CID 168678885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).