2-amino-6-fluoro-N-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H15FN6O — CID 134577873

IUPAC2-amino-6-fluoro-N-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC=N/C=C(NC(=O)c1c(N)nn2cc(F)cnc12)\C(C)=C/C
InChIInChI=1S/C14H15FN6O/c1-4-8(2)10(6-17-3)19-14(22)11-12(16)20-21-7-9(15)5-18-13(11)21/h4-7H,3H2,1-2H3,(H2,16,20)(H,19,22)/b8-4-,10-6+
InChIKeyWZFWVQVDIBBLAM-KHPAHMTISA-N
MW302.31 g/mol
LogP1.69
Rot. Bonds4

About 2-amino-6-fluoro-N-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134577873) has the molecular formula C14H15FN6O and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134577873
Molecular FormulaC14H15FN6O
Molecular Weight302.31 g/mol
Exact Mass302.13
IUPAC Name2-amino-6-fluoro-N-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC=N/C=C(NC(=O)c1c(N)nn2cc(F)cnc12)\C(C)=C/C
InChIInChI=1S/C14H15FN6O/c1-4-8(2)10(6-17-3)19-14(22)11-12(16)20-21-7-9(15)5-18-13(11)21/h4-7H,3H2,1-2H3,(H2,16,20)(H,19,22)/b8-4-,10-6+
InChIKeyWZFWVQVDIBBLAM-KHPAHMTISA-N
XLogP1.69
TPSA97.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134577873) is 2-amino-6-fluoro-N-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C=N/C=C(NC(=O)c1c(N)nn2cc(F)cnc12)\C(C)=C/C.
What is the InChIKey of 2-amino-6-fluoro-N-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WZFWVQVDIBBLAM-KHPAHMTISA-N. The full InChI is InChI=1S/C14H15FN6O/c1-4-8(2)10(6-17-3)19-14(22)11-12(16)20-21-7-9(15)5-18-13(11)21/h4-7H,3H2,1-2H3,(H2,16,20)(H,19,22)/b8-4-,10-6+.
What are the key properties of 2-amino-6-fluoro-N-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 302.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134577873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).