cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

C17H17FN6O — CID 135344519

IUPACcis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1n[nH]c(C)c1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c(N)n1
InChIInChI=1S/C17H17FN6O/c1-7-15(8(2)24-23-7)13-3-9-4-14(20-6-11(9)16(19)21-13)22-17(25)10-5-12(10)18/h3-4,6,10,12H,5H2,1-2H3,(H2,19,21)(H,23,24)(H,20,22,25)/t10-,12+/m1/s1
InChIKeyBISLLJRKVAVBSQ-PWSUYJOCSA-N
MW340.36 g/mol
LogP2.52
Rot. Bonds3

About cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 135344519) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID135344519
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC Namecis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1n[nH]c(C)c1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c(N)n1
InChIInChI=1S/C17H17FN6O/c1-7-15(8(2)24-23-7)13-3-9-4-14(20-6-11(9)16(19)21-13)22-17(25)10-5-12(10)18/h3-4,6,10,12H,5H2,1-2H3,(H2,19,21)(H,23,24)(H,20,22,25)/t10-,12+/m1/s1
InChIKeyBISLLJRKVAVBSQ-PWSUYJOCSA-N
XLogP2.52
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 135344519) is cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is Cc1n[nH]c(C)c1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c(N)n1.
What is the InChIKey of cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is BISLLJRKVAVBSQ-PWSUYJOCSA-N. The full InChI is InChI=1S/C17H17FN6O/c1-7-15(8(2)24-23-7)13-3-9-4-14(20-6-11(9)16(19)21-13)22-17(25)10-5-12(10)18/h3-4,6,10,12H,5H2,1-2H3,(H2,19,21)(H,23,24)(H,20,22,25)/t10-,12+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 135344519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).