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

C24H25N9O — CID 168678889

IUPAC(3R)-4-[7-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
SMILESCc1nn(-c2cccnc2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12
InChIInChI=1S/C24H25N9O/c1-15-14-34-10-9-31(15)22-11-21(33-24(28-22)19(13-27-33)20-6-8-26-29-20)23-16(2)30-32(17(23)3)18-5-4-7-25-12-18/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,26,29)/t15-/m1/s1
InChIKeyPDEJNQRPTDOBPE-OAHLLOKOSA-N
MW455.53 g/mol
LogP3.21
Rot. Bonds4

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

(3R)-4-[7-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine (PubChem CID 168678889) has the molecular formula C24H25N9O and a molecular weight of 455.53 g/mol. Its IUPAC name is (3R)-4-[7-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[7-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
PubChem CID168678889
Molecular FormulaC24H25N9O
Molecular Weight455.53 g/mol
Exact Mass455.22
IUPAC Name(3R)-4-[7-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
SMILESCc1nn(-c2cccnc2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12
InChIInChI=1S/C24H25N9O/c1-15-14-34-10-9-31(15)22-11-21(33-24(28-22)19(13-27-33)20-6-8-26-29-20)23-16(2)30-32(17(23)3)18-5-4-7-25-12-18/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,26,29)/t15-/m1/s1
InChIKeyPDEJNQRPTDOBPE-OAHLLOKOSA-N
XLogP3.21
TPSA102.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[7-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[7-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine (CID 168678889) is (3R)-4-[7-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[7-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[7-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine is Cc1nn(-c2cccnc2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12.
What is the InChIKey of (3R)-4-[7-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
The InChIKey is PDEJNQRPTDOBPE-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H25N9O/c1-15-14-34-10-9-31(15)22-11-21(33-24(28-22)19(13-27-33)20-6-8-26-29-20)23-16(2)30-32(17(23)3)18-5-4-7-25-12-18/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,26,29)/t15-/m1/s1.
What are the key properties of (3R)-4-[7-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
(3R)-4-[7-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine has a molecular weight of 455.53 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[7-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine is sourced from PubChem (CID 168678889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).