2-[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]ethanol

C21H26N8O2 — CID 163554541

IUPAC2-[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]ethanol
SMILESCc1nn(CCO)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12
InChIInChI=1S/C21H26N8O2/c1-13-12-31-9-7-27(13)19-10-18(20-14(2)26-28(6-8-30)15(20)3)29-21(24-19)16(11-23-29)17-4-5-22-25-17/h4-5,10-11,13,30H,6-9,12H2,1-3H3,(H,22,25)/t13-/m1/s1
InChIKeyFLWXKESXRKOKOQ-CYBMUJFWSA-N
MW422.49 g/mol
LogP1.82
Rot. Bonds5

About 2-[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]ethanol

2-[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]ethanol (PubChem CID 163554541) has the molecular formula C21H26N8O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-[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]ethanol.

Molecular Properties

Compound Name2-[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]ethanol
PubChem CID163554541
Molecular FormulaC21H26N8O2
Molecular Weight422.49 g/mol
Exact Mass422.22
IUPAC Name2-[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]ethanol
SMILESCc1nn(CCO)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12
InChIInChI=1S/C21H26N8O2/c1-13-12-31-9-7-27(13)19-10-18(20-14(2)26-28(6-8-30)15(20)3)29-21(24-19)16(11-23-29)17-4-5-22-25-17/h4-5,10-11,13,30H,6-9,12H2,1-3H3,(H,22,25)/t13-/m1/s1
InChIKeyFLWXKESXRKOKOQ-CYBMUJFWSA-N
XLogP1.82
TPSA109.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[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]ethanol?
The IUPAC name of 2-[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]ethanol (CID 163554541) is 2-[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]ethanol.
What is the SMILES notation for 2-[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]ethanol?
The canonical SMILES for 2-[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]ethanol is Cc1nn(CCO)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12.
What is the InChIKey of 2-[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]ethanol?
The InChIKey is FLWXKESXRKOKOQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H26N8O2/c1-13-12-31-9-7-27(13)19-10-18(20-14(2)26-28(6-8-30)15(20)3)29-21(24-19)16(11-23-29)17-4-5-22-25-17/h4-5,10-11,13,30H,6-9,12H2,1-3H3,(H,22,25)/t13-/m1/s1.
What are the key properties of 2-[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]ethanol?
2-[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]ethanol has a molecular weight of 422.49 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[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]ethanol is sourced from PubChem (CID 163554541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).