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

C28H31ClF2N8O4 — CID 118523208

IUPACN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)CCOC1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1
InChIInChI=1S/C28H31ClF2N8O4/c1-36(2)12-13-42-19-6-10-37(11-7-19)24(40)17-38-16-22(34-27(41)21-15-33-39-9-3-8-32-26(21)39)25(35-38)20-14-18(29)4-5-23(20)43-28(30)31/h3-5,8-9,14-16,19,28H,6-7,10-13,17H2,1-2H3,(H,34,41)
InChIKeyCDGRWJZLNNCFBU-UHFFFAOYSA-N
MW617.06 g/mol
LogP3.67
Rot. Bonds11

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

N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 118523208) has the molecular formula C28H31ClF2N8O4 and a molecular weight of 617.06 g/mol. Its IUPAC name is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID118523208
Molecular FormulaC28H31ClF2N8O4
Molecular Weight617.06 g/mol
Exact Mass616.21
IUPAC NameN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)CCOC1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1
InChIInChI=1S/C28H31ClF2N8O4/c1-36(2)12-13-42-19-6-10-37(11-7-19)24(40)17-38-16-22(34-27(41)21-15-33-39-9-3-8-32-26(21)39)25(35-38)20-14-18(29)4-5-23(20)43-28(30)31/h3-5,8-9,14-16,19,28H,6-7,10-13,17H2,1-2H3,(H,34,41)
InChIKeyCDGRWJZLNNCFBU-UHFFFAOYSA-N
XLogP3.67
TPSA119.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.06
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Related Compounds

CID 118522534
CID 118522534
CID 49856845
CID 49856845
CID 66847152
CID 66847152
CID 118522410
CID 118522410
CID 9805655
CID 9805655
CID 49857621
CID 49857621
CID 66850618
CID 66850618
CID 70496681
CID 70496681
CID 70497218
CID 70497218
CID 70497481
CID 70497481
CID 118533896
CID 118533896
CID 130344686
CID 130344686

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 118523208) is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)CCOC1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1.
What is the InChIKey of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CDGRWJZLNNCFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClF2N8O4/c1-36(2)12-13-42-19-6-10-37(11-7-19)24(40)17-38-16-22(34-27(41)21-15-33-39-9-3-8-32-26(21)39)25(35-38)20-14-18(29)4-5-23(20)43-28(30)31/h3-5,8-9,14-16,19,28H,6-7,10-13,17H2,1-2H3,(H,34,41).
What are the key properties of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 617.06 g/mol, XLogP of 3.67, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118523208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).