N-cyclopropyl-7-(methylamino)-5-[[4-(methylcarbamoyl)thiophen-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H19N7O2S — CID 154678708

IUPACN-cyclopropyl-7-(methylamino)-5-[[4-(methylcarbamoyl)thiophen-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cscc1Nc1cc(NC)n2ncc(C(=O)NC3CC3)c2n1
InChIInChI=1S/C17H19N7O2S/c1-18-14-5-13(22-12-8-27-7-11(12)16(25)19-2)23-15-10(6-20-24(14)15)17(26)21-9-3-4-9/h5-9,18H,3-4H2,1-2H3,(H,19,25)(H,21,26)(H,22,23)
InChIKeyCWSDCOIDLPBLDC-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.83
Rot. Bonds6

About N-cyclopropyl-7-(methylamino)-5-[[4-(methylcarbamoyl)thiophen-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-7-(methylamino)-5-[[4-(methylcarbamoyl)thiophen-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 154678708) has the molecular formula C17H19N7O2S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-cyclopropyl-7-(methylamino)-5-[[4-(methylcarbamoyl)thiophen-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-(methylamino)-5-[[4-(methylcarbamoyl)thiophen-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID154678708
Molecular FormulaC17H19N7O2S
Molecular Weight385.45 g/mol
Exact Mass385.13
IUPAC NameN-cyclopropyl-7-(methylamino)-5-[[4-(methylcarbamoyl)thiophen-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cscc1Nc1cc(NC)n2ncc(C(=O)NC3CC3)c2n1
InChIInChI=1S/C17H19N7O2S/c1-18-14-5-13(22-12-8-27-7-11(12)16(25)19-2)23-15-10(6-20-24(14)15)17(26)21-9-3-4-9/h5-9,18H,3-4H2,1-2H3,(H,19,25)(H,21,26)(H,22,23)
InChIKeyCWSDCOIDLPBLDC-UHFFFAOYSA-N
XLogP1.83
TPSA112.45 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide
CID 137449963
methyl 2-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzoate
CID 154678689
N-cyclopropyl-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449164
N-cyclopropyl-7-(methylamino)-5-[(5-methyl-2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137457779
N-cyclopropyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154678692
N-cyclopropyl-7-(methylamino)-5-[(2-oxo-1-pyridin-3-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450224
CID 142523922
CID 142523922
N-cyclopropyl-7-(methylamino)-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154678777
N-[(1S,3S)-3-hydroxycyclopentyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383309
N-cyclopropyl-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142523504
N-methyl-7-(methylamino)-5-[(6-methyl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154933737
N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137457791

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-(methylamino)-5-[[4-(methylcarbamoyl)thiophen-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-7-(methylamino)-5-[[4-(methylcarbamoyl)thiophen-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 154678708) is N-cyclopropyl-7-(methylamino)-5-[[4-(methylcarbamoyl)thiophen-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-(methylamino)-5-[[4-(methylcarbamoyl)thiophen-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-7-(methylamino)-5-[[4-(methylcarbamoyl)thiophen-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)c1cscc1Nc1cc(NC)n2ncc(C(=O)NC3CC3)c2n1.
What is the InChIKey of N-cyclopropyl-7-(methylamino)-5-[[4-(methylcarbamoyl)thiophen-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CWSDCOIDLPBLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2S/c1-18-14-5-13(22-12-8-27-7-11(12)16(25)19-2)23-15-10(6-20-24(14)15)17(26)21-9-3-4-9/h5-9,18H,3-4H2,1-2H3,(H,19,25)(H,21,26)(H,22,23).
What are the key properties of N-cyclopropyl-7-(methylamino)-5-[[4-(methylcarbamoyl)thiophen-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-7-(methylamino)-5-[[4-(methylcarbamoyl)thiophen-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 1.83, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-(methylamino)-5-[[4-(methylcarbamoyl)thiophen-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 154678708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).