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

C23H24N10O — CID 163443233

IUPAC(3R)-4-[7-(3,5-dimethyl-1-pyridazin-4-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
SMILESCc1nn(-c2ccnnc2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12
InChIInChI=1S/C23H24N10O/c1-14-13-34-9-8-31(14)21-10-20(33-23(28-21)18(12-27-33)19-5-7-25-29-19)22-15(2)30-32(16(22)3)17-4-6-24-26-11-17/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,25,29)/t14-/m1/s1
InChIKeyBAITUOAQQRLCQW-CQSZACIVSA-N
MW456.51 g/mol
LogP2.60
Rot. Bonds4

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

(3R)-4-[7-(3,5-dimethyl-1-pyridazin-4-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine (PubChem CID 163443233) has the molecular formula C23H24N10O and a molecular weight of 456.51 g/mol. Its IUPAC name is (3R)-4-[7-(3,5-dimethyl-1-pyridazin-4-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-pyridazin-4-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
PubChem CID163443233
Molecular FormulaC23H24N10O
Molecular Weight456.51 g/mol
Exact Mass456.21
IUPAC Name(3R)-4-[7-(3,5-dimethyl-1-pyridazin-4-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
SMILESCc1nn(-c2ccnnc2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12
InChIInChI=1S/C23H24N10O/c1-14-13-34-9-8-31(14)21-10-20(33-23(28-21)18(12-27-33)19-5-7-25-29-19)22-15(2)30-32(16(22)3)17-4-6-24-26-11-17/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,25,29)/t14-/m1/s1
InChIKeyBAITUOAQQRLCQW-CQSZACIVSA-N
XLogP2.60
TPSA114.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[7-(3,5-dimethyl-1-pyridazin-4-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-pyridazin-4-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine (CID 163443233) is (3R)-4-[7-(3,5-dimethyl-1-pyridazin-4-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-pyridazin-4-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-pyridazin-4-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine is Cc1nn(-c2ccnnc2)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-pyridazin-4-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
The InChIKey is BAITUOAQQRLCQW-CQSZACIVSA-N. The full InChI is InChI=1S/C23H24N10O/c1-14-13-34-9-8-31(14)21-10-20(33-23(28-21)18(12-27-33)19-5-7-25-29-19)22-15(2)30-32(16(22)3)17-4-6-24-26-11-17/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,25,29)/t14-/m1/s1.
What are the key properties of (3R)-4-[7-(3,5-dimethyl-1-pyridazin-4-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
(3R)-4-[7-(3,5-dimethyl-1-pyridazin-4-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine has a molecular weight of 456.51 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[7-(3,5-dimethyl-1-pyridazin-4-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine is sourced from PubChem (CID 163443233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).