tert-butyl N-[(1S,2R)-2-[[3-[[1-(2-amino-2-oxoethyl)-3-carbamoylpyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate

C24H32N10O5 — CID 140844558

IUPACtert-butyl N-[(1S,2R)-2-[[3-[[1-(2-amino-2-oxoethyl)-3-carbamoylpyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cn(CC(N)=O)nc3C(N)=O)c2n1
InChIInChI=1S/C24H32N10O5/c1-24(2,3)39-23(38)30-15-7-5-4-6-14(15)28-18-8-9-34-21(31-18)13(10-27-34)22(37)29-16-11-33(12-17(25)35)32-19(16)20(26)36/h8-11,14-15H,4-7,12H2,1-3H3,(H2,25,35)(H2,26,36)(H,28,31)(H,29,37)(H,30,38)/t14-,15+/m1/s1
InChIKeyCACALQXTUUZVSH-CABCVRRESA-N
MW540.59 g/mol
LogP1.01
Rot. Bonds8

About tert-butyl N-[(1S,2R)-2-[[3-[[1-(2-amino-2-oxoethyl)-3-carbamoylpyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate

tert-butyl N-[(1S,2R)-2-[[3-[[1-(2-amino-2-oxoethyl)-3-carbamoylpyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate (PubChem CID 140844558) has the molecular formula C24H32N10O5 and a molecular weight of 540.59 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-[[3-[[1-(2-amino-2-oxoethyl)-3-carbamoylpyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-2-[[3-[[1-(2-amino-2-oxoethyl)-3-carbamoylpyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate
PubChem CID140844558
Molecular FormulaC24H32N10O5
Molecular Weight540.59 g/mol
Exact Mass540.26
IUPAC Nametert-butyl N-[(1S,2R)-2-[[3-[[1-(2-amino-2-oxoethyl)-3-carbamoylpyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cn(CC(N)=O)nc3C(N)=O)c2n1
InChIInChI=1S/C24H32N10O5/c1-24(2,3)39-23(38)30-15-7-5-4-6-14(15)28-18-8-9-34-21(31-18)13(10-27-34)22(37)29-16-11-33(12-17(25)35)32-19(16)20(26)36/h8-11,14-15H,4-7,12H2,1-3H3,(H2,25,35)(H2,26,36)(H,28,31)(H,29,37)(H,30,38)/t14-,15+/m1/s1
InChIKeyCACALQXTUUZVSH-CABCVRRESA-N
XLogP1.01
TPSA213.65 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.59
LogP ≤ 51.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze tert-butyl N-[(1S,2R)-2-[[3-[[1-(2-amino-2-oxoethyl)-3-carbamoylpyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R,2S)-2-[[3-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate
CID 140844566
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122515235
tert-butyl N-[(1S,2R)-2-[[3-[(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate
CID 129284308
5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122540794
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 134262641
5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-N-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122542194
5-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 134262594
5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[3-carbamoyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 134262608
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-chloro-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 134263069
N-[1-tert-butyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155267268
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181634
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methyl-3-pyrimidin-5-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181635

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-2-[[3-[[1-(2-amino-2-oxoethyl)-3-carbamoylpyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R)-2-[[3-[[1-(2-amino-2-oxoethyl)-3-carbamoylpyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate (CID 140844558) is tert-butyl N-[(1S,2R)-2-[[3-[[1-(2-amino-2-oxoethyl)-3-carbamoylpyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R)-2-[[3-[[1-(2-amino-2-oxoethyl)-3-carbamoylpyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R)-2-[[3-[[1-(2-amino-2-oxoethyl)-3-carbamoylpyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cn(CC(N)=O)nc3C(N)=O)c2n1.
What is the InChIKey of tert-butyl N-[(1S,2R)-2-[[3-[[1-(2-amino-2-oxoethyl)-3-carbamoylpyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate?
The InChIKey is CACALQXTUUZVSH-CABCVRRESA-N. The full InChI is InChI=1S/C24H32N10O5/c1-24(2,3)39-23(38)30-15-7-5-4-6-14(15)28-18-8-9-34-21(31-18)13(10-27-34)22(37)29-16-11-33(12-17(25)35)32-19(16)20(26)36/h8-11,14-15H,4-7,12H2,1-3H3,(H2,25,35)(H2,26,36)(H,28,31)(H,29,37)(H,30,38)/t14-,15+/m1/s1.
What are the key properties of tert-butyl N-[(1S,2R)-2-[[3-[[1-(2-amino-2-oxoethyl)-3-carbamoylpyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate?
tert-butyl N-[(1S,2R)-2-[[3-[[1-(2-amino-2-oxoethyl)-3-carbamoylpyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate has a molecular weight of 540.59 g/mol, XLogP of 1.01, 8 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R)-2-[[3-[[1-(2-amino-2-oxoethyl)-3-carbamoylpyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate is sourced from PubChem (CID 140844558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).