N-cyclopropyl-5-[2-[[2-[[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclopropyl]methoxy]anilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C36H36F2N12O4 — CID 155058590

IUPACN-cyclopropyl-5-[2-[[2-[[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclopropyl]methoxy]anilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2ccccc2OCC2CC2NC(=O)c2cnn3c(NC)cc(Nc4cc(F)cc(F)c4OC)nc23)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C36H36F2N12O4/c1-39-30-13-28(47-33-21(15-41-49(30)33)35(51)43-20-8-9-20)44-24-6-4-5-7-27(24)54-17-18-10-25(18)46-36(52)22-16-42-50-31(40-2)14-29(48-34(22)50)45-26-12-19(37)11-23(38)32(26)53-3/h4-7,11-16,18,20,25,39-40H,8-10,17H2,1-3H3,(H,43,51)(H,44,47)(H,45,48)(H,46,52)
InChIKeyWSFMGDCROXKUMH-UHFFFAOYSA-N
MW738.76 g/mol
LogP4.72
Rot. Bonds14

About N-cyclopropyl-5-[2-[[2-[[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclopropyl]methoxy]anilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-5-[2-[[2-[[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclopropyl]methoxy]anilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155058590) has the molecular formula C36H36F2N12O4 and a molecular weight of 738.76 g/mol. Its IUPAC name is N-cyclopropyl-5-[2-[[2-[[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclopropyl]methoxy]anilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[2-[[2-[[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclopropyl]methoxy]anilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155058590
Molecular FormulaC36H36F2N12O4
Molecular Weight738.76 g/mol
Exact Mass738.30
IUPAC NameN-cyclopropyl-5-[2-[[2-[[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclopropyl]methoxy]anilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2ccccc2OCC2CC2NC(=O)c2cnn3c(NC)cc(Nc4cc(F)cc(F)c4OC)nc23)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C36H36F2N12O4/c1-39-30-13-28(47-33-21(15-41-49(30)33)35(51)43-20-8-9-20)44-24-6-4-5-7-27(24)54-17-18-10-25(18)46-36(52)22-16-42-50-31(40-2)14-29(48-34(22)50)45-26-12-19(37)11-23(38)32(26)53-3/h4-7,11-16,18,20,25,39-40H,8-10,17H2,1-3H3,(H,43,51)(H,44,47)(H,45,48)(H,46,52)
InChIKeyWSFMGDCROXKUMH-UHFFFAOYSA-N
XLogP4.72
TPSA185.16 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500738.76
LogP ≤ 54.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze N-cyclopropyl-5-[2-[[2-[[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclopropyl]methoxy]anilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

(R)-N-cyclopropyl-5-(2-(5-fluoro-2-(2-morpholinoethoxy)phenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500657
7-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-6-carboxamide
CID 10647512
7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3158179
N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(4-hydroxycyclohexyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449161
N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449199
N-cyclopropyl-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449321
N-[(1S,2R)-2-fluorocyclopropyl]-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449328
5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449628
5-[(2-cyclohexyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449648
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxan-4-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449686
7-(cyclopropylamino)-N-[(1R,2S)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449692
5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449693

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[2-[[2-[[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclopropyl]methoxy]anilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[2-[[2-[[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclopropyl]methoxy]anilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155058590) is N-cyclopropyl-5-[2-[[2-[[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclopropyl]methoxy]anilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[2-[[2-[[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclopropyl]methoxy]anilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[2-[[2-[[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclopropyl]methoxy]anilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2ccccc2OCC2CC2NC(=O)c2cnn3c(NC)cc(Nc4cc(F)cc(F)c4OC)nc23)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-5-[2-[[2-[[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclopropyl]methoxy]anilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WSFMGDCROXKUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36F2N12O4/c1-39-30-13-28(47-33-21(15-41-49(30)33)35(51)43-20-8-9-20)44-24-6-4-5-7-27(24)54-17-18-10-25(18)46-36(52)22-16-42-50-31(40-2)14-29(48-34(22)50)45-26-12-19(37)11-23(38)32(26)53-3/h4-7,11-16,18,20,25,39-40H,8-10,17H2,1-3H3,(H,43,51)(H,44,47)(H,45,48)(H,46,52).
What are the key properties of N-cyclopropyl-5-[2-[[2-[[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclopropyl]methoxy]anilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[2-[[2-[[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclopropyl]methoxy]anilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 738.76 g/mol, XLogP of 4.72, 14 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[2-[[2-[[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclopropyl]methoxy]anilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155058590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).