N-[1-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C43H52ClF2N11O5 — CID 167439924

IUPACN-[1-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C1CCN(c2cc(C(=O)N3CCC4(CCC(CCN5CCC(n6cc(NC(=O)c7cnn8ccc(N9CCOCC9)nc78)c(C(F)F)n6)CC5)CC4)CC3)ccc2Cl)C(=O)N1
InChIInChI=1S/C43H52ClF2N11O5/c44-32-2-1-29(25-34(32)55-17-9-36(58)50-42(55)61)41(60)54-19-12-43(13-20-54)10-3-28(4-11-43)5-14-52-15-6-30(7-16-52)57-27-33(37(51-57)38(45)46)48-40(59)31-26-47-56-18-8-35(49-39(31)56)53-21-23-62-24-22-53/h1-2,8,18,25-28,30,38H,3-7,9-17,19-24H2,(H,48,59)(H,50,58,61)
InChIKeyAUQVAJIFLCQVLN-UHFFFAOYSA-N
MW876.41 g/mol
LogP6.19
Rot. Bonds10

About N-[1-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167439924) has the molecular formula C43H52ClF2N11O5 and a molecular weight of 876.41 g/mol. Its IUPAC name is N-[1-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID167439924
Molecular FormulaC43H52ClF2N11O5
Molecular Weight876.41 g/mol
Exact Mass875.38
IUPAC NameN-[1-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C1CCN(c2cc(C(=O)N3CCC4(CCC(CCN5CCC(n6cc(NC(=O)c7cnn8ccc(N9CCOCC9)nc78)c(C(F)F)n6)CC5)CC4)CC3)ccc2Cl)C(=O)N1
InChIInChI=1S/C43H52ClF2N11O5/c44-32-2-1-29(25-34(32)55-17-9-36(58)50-42(55)61)41(60)54-19-12-43(13-20-54)10-3-28(4-11-43)5-14-52-15-6-30(7-16-52)57-27-33(37(51-57)38(45)46)48-40(59)31-26-47-56-18-8-35(49-39(31)56)53-21-23-62-24-22-53/h1-2,8,18,25-28,30,38H,3-7,9-17,19-24H2,(H,48,59)(H,50,58,61)
InChIKeyAUQVAJIFLCQVLN-UHFFFAOYSA-N
XLogP6.19
TPSA162.54 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500876.41
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[1-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[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-[1-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167439924) is N-[1-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C1CCN(c2cc(C(=O)N3CCC4(CCC(CCN5CCC(n6cc(NC(=O)c7cnn8ccc(N9CCOCC9)nc78)c(C(F)F)n6)CC5)CC4)CC3)ccc2Cl)C(=O)N1.
What is the InChIKey of N-[1-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AUQVAJIFLCQVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H52ClF2N11O5/c44-32-2-1-29(25-34(32)55-17-9-36(58)50-42(55)61)41(60)54-19-12-43(13-20-54)10-3-28(4-11-43)5-14-52-15-6-30(7-16-52)57-27-33(37(51-57)38(45)46)48-40(59)31-26-47-56-18-8-35(49-39(31)56)53-21-23-62-24-22-53/h1-2,8,18,25-28,30,38H,3-7,9-17,19-24H2,(H,48,59)(H,50,58,61).
What are the key properties of N-[1-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 876.41 g/mol, XLogP of 6.19, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167439924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).