N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H27ClF2N8O3 — CID 118522559

IUPACN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)CCN1CCC(n2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1
InChIInChI=1S/C26H27ClF2N8O3/c1-30-22(38)7-12-35-10-5-17(6-11-35)37-15-20(33-25(39)19-14-32-36-9-2-8-31-24(19)36)23(34-37)18-13-16(27)3-4-21(18)40-26(28)29/h2-4,8-9,13-15,17,26H,5-7,10-12H2,1H3,(H,30,38)(H,33,39)
InChIKeyFGXUKFVJQACMBH-UHFFFAOYSA-N
MW573.00 g/mol
LogP3.87
Rot. Bonds9

About N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 118522559) has the molecular formula C26H27ClF2N8O3 and a molecular weight of 573.00 g/mol. Its IUPAC name is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID118522559
Molecular FormulaC26H27ClF2N8O3
Molecular Weight573.00 g/mol
Exact Mass572.19
IUPAC NameN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)CCN1CCC(n2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1
InChIInChI=1S/C26H27ClF2N8O3/c1-30-22(38)7-12-35-10-5-17(6-11-35)37-15-20(33-25(39)19-14-32-36-9-2-8-31-24(19)36)23(34-37)18-13-16(27)3-4-21(18)40-26(28)29/h2-4,8-9,13-15,17,26H,5-7,10-12H2,1H3,(H,30,38)(H,33,39)
InChIKeyFGXUKFVJQACMBH-UHFFFAOYSA-N
XLogP3.87
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.00
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 118522559) is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)CCN1CCC(n2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1.
What is the InChIKey of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FGXUKFVJQACMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClF2N8O3/c1-30-22(38)7-12-35-10-5-17(6-11-35)37-15-20(33-25(39)19-14-32-36-9-2-8-31-24(19)36)23(34-37)18-13-16(27)3-4-21(18)40-26(28)29/h2-4,8-9,13-15,17,26H,5-7,10-12H2,1H3,(H,30,38)(H,33,39).
What are the key properties of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 573.00 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118522559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).