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

C23H21ClN6O — CID 58628608

IUPACN-[2-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESN[C@@H]1CCN(c2ccccc2NC(=O)c2cnc3c(-c4ccc(Cl)cc4)cnn3c2)C1
InChIInChI=1S/C23H21ClN6O/c24-17-7-5-15(6-8-17)19-12-27-30-13-16(11-26-22(19)30)23(31)28-20-3-1-2-4-21(20)29-10-9-18(25)14-29/h1-8,11-13,18H,9-10,14,25H2,(H,28,31)/t18-/m1/s1
InChIKeyMMSJNUYNODRENI-GOSISDBHSA-N
MW432.92 g/mol
LogP3.84
Rot. Bonds4

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

N-[2-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 58628608) has the molecular formula C23H21ClN6O and a molecular weight of 432.92 g/mol. Its IUPAC name is N-[2-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID58628608
Molecular FormulaC23H21ClN6O
Molecular Weight432.92 g/mol
Exact Mass432.15
IUPAC NameN-[2-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESN[C@@H]1CCN(c2ccccc2NC(=O)c2cnc3c(-c4ccc(Cl)cc4)cnn3c2)C1
InChIInChI=1S/C23H21ClN6O/c24-17-7-5-15(6-8-17)19-12-27-30-13-16(11-26-22(19)30)23(31)28-20-3-1-2-4-21(20)29-10-9-18(25)14-29/h1-8,11-13,18H,9-10,14,25H2,(H,28,31)/t18-/m1/s1
InChIKeyMMSJNUYNODRENI-GOSISDBHSA-N
XLogP3.84
TPSA88.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
3-(4-chlorophenyl)-N-[2-[(3R)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 58628338
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
N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-piperazin-1-ylbenzamide
CID 58628505
1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-[4-(ethylamino)piperidin-1-yl]phenyl]urea
CID 58628835
3-(3-chlorophenyl)-N-[2-[(3R)-3-(diethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628579
N-[2-(azepan-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide
CID 18287671
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-benzylpyrazole-4-carboxamide
CID 71677957
3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-bromopyrazine-2-carboxamide
CID 88852598
N-(5-amino-2-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide
CID 174590628
N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide
CID 59569339

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 58628608) is N-[2-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is N[C@@H]1CCN(c2ccccc2NC(=O)c2cnc3c(-c4ccc(Cl)cc4)cnn3c2)C1.
What is the InChIKey of N-[2-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is MMSJNUYNODRENI-GOSISDBHSA-N. The full InChI is InChI=1S/C23H21ClN6O/c24-17-7-5-15(6-8-17)19-12-27-30-13-16(11-26-22(19)30)23(31)28-20-3-1-2-4-21(20)29-10-9-18(25)14-29/h1-8,11-13,18H,9-10,14,25H2,(H,28,31)/t18-/m1/s1.
What are the key properties of N-[2-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[2-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 432.92 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 58628608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).