N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(methylcarbamoyl)furan-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H18FN7O3 — CID 137441377

IUPACN-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(methylcarbamoyl)furan-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1occc1Nc1cc(NC)n2ncc(C(=O)N[C@@H]3C[C@@H]3F)c2n1
InChIInChI=1S/C17H18FN7O3/c1-19-13-6-12(22-10-3-4-28-14(10)17(27)20-2)24-15-8(7-21-25(13)15)16(26)23-11-5-9(11)18/h3-4,6-7,9,11,19H,5H2,1-2H3,(H,20,27)(H,22,24)(H,23,26)/t9-,11+/m0/s1
InChIKeyHVBQUEPESXUPMR-GXSJLCMTSA-N
MW387.38 g/mol
LogP1.31
Rot. Bonds6

About N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(methylcarbamoyl)furan-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(methylcarbamoyl)furan-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441377) has the molecular formula C17H18FN7O3 and a molecular weight of 387.38 g/mol. Its IUPAC name is N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(methylcarbamoyl)furan-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(methylcarbamoyl)furan-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137441377
Molecular FormulaC17H18FN7O3
Molecular Weight387.38 g/mol
Exact Mass387.15
IUPAC NameN-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(methylcarbamoyl)furan-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1occc1Nc1cc(NC)n2ncc(C(=O)N[C@@H]3C[C@@H]3F)c2n1
InChIInChI=1S/C17H18FN7O3/c1-19-13-6-12(22-10-3-4-28-14(10)17(27)20-2)24-15-8(7-21-25(13)15)16(26)23-11-5-9(11)18/h3-4,6-7,9,11,19H,5H2,1-2H3,(H,20,27)(H,22,24)(H,23,26)/t9-,11+/m0/s1
InChIKeyHVBQUEPESXUPMR-GXSJLCMTSA-N
XLogP1.31
TPSA125.59 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(methylcarbamoyl)furan-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(methylcarbamoyl)furan-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441377) is N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(methylcarbamoyl)furan-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(methylcarbamoyl)furan-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(methylcarbamoyl)furan-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)c1occc1Nc1cc(NC)n2ncc(C(=O)N[C@@H]3C[C@@H]3F)c2n1.
What is the InChIKey of N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(methylcarbamoyl)furan-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HVBQUEPESXUPMR-GXSJLCMTSA-N. The full InChI is InChI=1S/C17H18FN7O3/c1-19-13-6-12(22-10-3-4-28-14(10)17(27)20-2)24-15-8(7-21-25(13)15)16(26)23-11-5-9(11)18/h3-4,6-7,9,11,19H,5H2,1-2H3,(H,20,27)(H,22,24)(H,23,26)/t9-,11+/m0/s1.
What are the key properties of N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(methylcarbamoyl)furan-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(methylcarbamoyl)furan-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 387.38 g/mol, XLogP of 1.31, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(methylcarbamoyl)furan-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).