3-(4-chlorophenyl)-N-[2-[(3R)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

C25H25ClN6O2 — CID 58628338

IUPAC3-(4-chlorophenyl)-N-[2-[(3R)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccc1N1CC[C@@H](NCCO)C1)c1cnc2c(-c3ccc(Cl)cc3)cnn2c1
InChIInChI=1S/C25H25ClN6O2/c26-19-7-5-17(6-8-19)21-14-29-32-15-18(13-28-24(21)32)25(34)30-22-3-1-2-4-23(22)31-11-9-20(16-31)27-10-12-33/h1-8,13-15,20,27,33H,9-12,16H2,(H,30,34)/t20-/m1/s1
InChIKeyCUVXJKKBKOFYRF-HXUWFJFHSA-N
MW476.97 g/mol
LogP3.46
Rot. Bonds7

About 3-(4-chlorophenyl)-N-[2-[(3R)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

3-(4-chlorophenyl)-N-[2-[(3R)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 58628338) has the molecular formula C25H25ClN6O2 and a molecular weight of 476.97 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-[(3R)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-[(3R)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID58628338
Molecular FormulaC25H25ClN6O2
Molecular Weight476.97 g/mol
Exact Mass476.17
IUPAC Name3-(4-chlorophenyl)-N-[2-[(3R)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccc1N1CC[C@@H](NCCO)C1)c1cnc2c(-c3ccc(Cl)cc3)cnn2c1
InChIInChI=1S/C25H25ClN6O2/c26-19-7-5-17(6-8-19)21-14-29-32-15-18(13-28-24(21)32)25(34)30-22-3-1-2-4-23(22)31-11-9-20(16-31)27-10-12-33/h1-8,13-15,20,27,33H,9-12,16H2,(H,30,34)/t20-/m1/s1
InChIKeyCUVXJKKBKOFYRF-HXUWFJFHSA-N
XLogP3.46
TPSA94.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.97
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-chlorophenyl)-N-[2-[4-(methylamino)piperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 58628283
N-[2-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 58628608
N-[2-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]phenyl]-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 58628658
1-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-[4-(propan-2-ylamino)piperidin-1-yl]phenyl]urea
CID 58628657
1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-[4-(ethylamino)piperidin-1-yl]phenyl]urea
CID 58628835
N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-piperazin-1-ylbenzamide
CID 58628505
tert-butyl N-[1-[2-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate
CID 76842889
3-(3-chlorophenyl)-N-[2-[(3R)-3-(diethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628579
3-[[1-(2-chlorophenyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004291
N-[2-(azepan-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide
CID 18287671
2-[[1-(2-methylphenyl)piperidin-3-yl]amino]ethanol
CID 117004950
dimethyl (2S)-2-[[1-[2-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]phenyl]piperidin-4-yl]amino]butanedioate
CID 58628363

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-[(3R)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-[(3R)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 58628338) is 3-(4-chlorophenyl)-N-[2-[(3R)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-[(3R)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-[(3R)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is O=C(Nc1ccccc1N1CC[C@@H](NCCO)C1)c1cnc2c(-c3ccc(Cl)cc3)cnn2c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-[(3R)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is CUVXJKKBKOFYRF-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H25ClN6O2/c26-19-7-5-17(6-8-19)21-14-29-32-15-18(13-28-24(21)32)25(34)30-22-3-1-2-4-23(22)31-11-9-20(16-31)27-10-12-33/h1-8,13-15,20,27,33H,9-12,16H2,(H,30,34)/t20-/m1/s1.
What are the key properties of 3-(4-chlorophenyl)-N-[2-[(3R)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
3-(4-chlorophenyl)-N-[2-[(3R)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 476.97 g/mol, XLogP of 3.46, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-[(3R)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 58628338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).