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

C25H27N9O — CID 168678890

IUPAC(3R)-4-[7-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
SMILESCc1cncc(-n2nc(C)c(-c3cc(N4CCOC[C@H]4C)nc4c(-c5ccn[nH]5)cnn34)c2C)c1
InChIInChI=1S/C25H27N9O/c1-15-9-19(12-26-11-15)33-18(4)24(17(3)31-33)22-10-23(32-7-8-35-14-16(32)2)29-25-20(13-28-34(22)25)21-5-6-27-30-21/h5-6,9-13,16H,7-8,14H2,1-4H3,(H,27,30)/t16-/m1/s1
InChIKeyHQTIDTMYAANSBW-MRXNPFEDSA-N
MW469.55 g/mol
LogP3.52
Rot. Bonds4

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

(3R)-4-[7-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine (PubChem CID 168678890) has the molecular formula C25H27N9O and a molecular weight of 469.55 g/mol. Its IUPAC name is (3R)-4-[7-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-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-(5-methyl-3-pyridinyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
PubChem CID168678890
Molecular FormulaC25H27N9O
Molecular Weight469.55 g/mol
Exact Mass469.23
IUPAC Name(3R)-4-[7-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
SMILESCc1cncc(-n2nc(C)c(-c3cc(N4CCOC[C@H]4C)nc4c(-c5ccn[nH]5)cnn34)c2C)c1
InChIInChI=1S/C25H27N9O/c1-15-9-19(12-26-11-15)33-18(4)24(17(3)31-33)22-10-23(32-7-8-35-14-16(32)2)29-25-20(13-28-34(22)25)21-5-6-27-30-21/h5-6,9-13,16H,7-8,14H2,1-4H3,(H,27,30)/t16-/m1/s1
InChIKeyHQTIDTMYAANSBW-MRXNPFEDSA-N
XLogP3.52
TPSA102.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.52
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-(5-methyl-3-pyridinyl)pyrazol-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-(5-methyl-3-pyridinyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine (CID 168678890) is (3R)-4-[7-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-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-(5-methyl-3-pyridinyl)pyrazol-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-(5-methyl-3-pyridinyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine is Cc1cncc(-n2nc(C)c(-c3cc(N4CCOC[C@H]4C)nc4c(-c5ccn[nH]5)cnn34)c2C)c1.
What is the InChIKey of (3R)-4-[7-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
The InChIKey is HQTIDTMYAANSBW-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H27N9O/c1-15-9-19(12-26-11-15)33-18(4)24(17(3)31-33)22-10-23(32-7-8-35-14-16(32)2)29-25-20(13-28-34(22)25)21-5-6-27-30-21/h5-6,9-13,16H,7-8,14H2,1-4H3,(H,27,30)/t16-/m1/s1.
What are the key properties of (3R)-4-[7-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
(3R)-4-[7-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine has a molecular weight of 469.55 g/mol, XLogP of 3.52, 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-(5-methyl-3-pyridinyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine is sourced from PubChem (CID 168678890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).