2-amino-6-chloro-N-[4-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-5-fluoro-1-azaspiro[5.9]pentadecan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C34H51ClFN9O2 — CID 129132703

IUPAC2-amino-6-chloro-N-[4-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-5-fluoro-1-azaspiro[5.9]pentadecan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(Cl)cnc2c1C(=O)NC1CNC2(CCCCCCCCC2)C(F)C1N1CCC(C(=O)N2CCN3CCC2CC3)CC1
InChIInChI=1S/C34H51ClFN9O2/c35-24-20-38-31-27(30(37)41-45(31)22-24)32(46)40-26-21-39-34(12-6-4-2-1-3-5-7-13-34)29(36)28(26)43-16-8-23(9-17-43)33(47)44-19-18-42-14-10-25(44)11-15-42/h20,22-23,25-26,28-29,39H,1-19,21H2,(H2,37,41)(H,40,46)
InChIKeyZSZDRMQIEBFINW-UHFFFAOYSA-N
MW672.29 g/mol
LogP3.66
Rot. Bonds4

About 2-amino-6-chloro-N-[4-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-5-fluoro-1-azaspiro[5.9]pentadecan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-chloro-N-[4-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-5-fluoro-1-azaspiro[5.9]pentadecan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129132703) has the molecular formula C34H51ClFN9O2 and a molecular weight of 672.29 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[4-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-5-fluoro-1-azaspiro[5.9]pentadecan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[4-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-5-fluoro-1-azaspiro[5.9]pentadecan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129132703
Molecular FormulaC34H51ClFN9O2
Molecular Weight672.29 g/mol
Exact Mass671.38
IUPAC Name2-amino-6-chloro-N-[4-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-5-fluoro-1-azaspiro[5.9]pentadecan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(Cl)cnc2c1C(=O)NC1CNC2(CCCCCCCCC2)C(F)C1N1CCC(C(=O)N2CCN3CCC2CC3)CC1
InChIInChI=1S/C34H51ClFN9O2/c35-24-20-38-31-27(30(37)41-45(31)22-24)32(46)40-26-21-39-34(12-6-4-2-1-3-5-7-13-34)29(36)28(26)43-16-8-23(9-17-43)33(47)44-19-18-42-14-10-25(44)11-15-42/h20,22-23,25-26,28-29,39H,1-19,21H2,(H2,37,41)(H,40,46)
InChIKeyZSZDRMQIEBFINW-UHFFFAOYSA-N
XLogP3.66
TPSA124.13 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500672.29
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-amino-6-chloro-N-[4-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-5-fluoro-1-azaspiro[5.9]pentadecan-3-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

Related Compounds

2-amino-6-fluoro-N-[5-fluoro-4-[4-[(3S)-3-methylpiperazine-1-carbonyl]piperidin-1-yl]-1-azaspiro[5.9]pentadecan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129134527
2-amino-N-[4-[4-[(5R)-1,4-diazabicyclo[3.2.1]octane-4-carbonyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129132881
2-amino-N-[4-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)phenyl]-1-azaspiro[5.9]pentadecan-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130280150
2-amino-N-[4-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-3-fluoro-1-azaspiro[5.11]heptadecan-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 156549760
2-amino-N-[4-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)-2-fluorophenyl]-1-azaspiro[5.10]hexadecan-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129133551
2-amino-6-fluoro-N-[5-[4-(1,3-oxazinane-3-carbonyl)piperidin-1-yl]-2-azaspiro[5.9]pentadecan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134339842
2-amino-6-fluoro-N-[5-fluoro-1-methyl-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163413738
2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 86732600
2-amino-N-[4-[4-[4-(azetidin-1-yl)piperidine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[5-chloro-4-[4-(1,4-diazabicyclo[3.2.1]octane-4-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-(3-fluoroazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157263355
2-amino-N-[1-ethyl-5-fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146580555
2-amino-6-fluoro-N-(3-fluoro-4-piperidin-1-yl-1-azaspiro[5.8]tetradecan-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137299948
2-amino-6-chloro-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200036

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[4-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-5-fluoro-1-azaspiro[5.9]pentadecan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[4-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-5-fluoro-1-azaspiro[5.9]pentadecan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129132703) is 2-amino-6-chloro-N-[4-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-5-fluoro-1-azaspiro[5.9]pentadecan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[4-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-5-fluoro-1-azaspiro[5.9]pentadecan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[4-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-5-fluoro-1-azaspiro[5.9]pentadecan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(Cl)cnc2c1C(=O)NC1CNC2(CCCCCCCCC2)C(F)C1N1CCC(C(=O)N2CCN3CCC2CC3)CC1.
What is the InChIKey of 2-amino-6-chloro-N-[4-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-5-fluoro-1-azaspiro[5.9]pentadecan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZSZDRMQIEBFINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H51ClFN9O2/c35-24-20-38-31-27(30(37)41-45(31)22-24)32(46)40-26-21-39-34(12-6-4-2-1-3-5-7-13-34)29(36)28(26)43-16-8-23(9-17-43)33(47)44-19-18-42-14-10-25(44)11-15-42/h20,22-23,25-26,28-29,39H,1-19,21H2,(H2,37,41)(H,40,46).
What are the key properties of 2-amino-6-chloro-N-[4-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-5-fluoro-1-azaspiro[5.9]pentadecan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-chloro-N-[4-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-5-fluoro-1-azaspiro[5.9]pentadecan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 672.29 g/mol, XLogP of 3.66, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[4-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-5-fluoro-1-azaspiro[5.9]pentadecan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129132703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).