cis-(1S,2S)-N-[8-amino-6-(1-methylpyrrolo[3,2-c]pyridin-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

C20H17FN6O — CID 135344753

IUPACcis-(1S,2S)-N-[8-amino-6-(1-methylpyrrolo[3,2-c]pyridin-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCn1ccc2cncc(-c3cc4cc(NC(=O)[C@@H]5C[C@@H]5F)ncc4c(N)n3)c21
InChIInChI=1S/C20H17FN6O/c1-27-3-2-10-7-23-8-14(18(10)27)16-4-11-5-17(24-9-13(11)19(22)25-16)26-20(28)12-6-15(12)21/h2-5,7-9,12,15H,6H2,1H3,(H2,22,25)(H,24,26,28)/t12-,15+/m1/s1
InChIKeyLQTGLBWDLMNANX-DOMZBBRYSA-N
MW376.40 g/mol
LogP3.06
Rot. Bonds3

About cis-(1S,2S)-N-[8-amino-6-(1-methylpyrrolo[3,2-c]pyridin-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[8-amino-6-(1-methylpyrrolo[3,2-c]pyridin-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 135344753) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is cis-(1S,2S)-N-[8-amino-6-(1-methylpyrrolo[3,2-c]pyridin-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[8-amino-6-(1-methylpyrrolo[3,2-c]pyridin-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID135344753
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC Namecis-(1S,2S)-N-[8-amino-6-(1-methylpyrrolo[3,2-c]pyridin-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCn1ccc2cncc(-c3cc4cc(NC(=O)[C@@H]5C[C@@H]5F)ncc4c(N)n3)c21
InChIInChI=1S/C20H17FN6O/c1-27-3-2-10-7-23-8-14(18(10)27)16-4-11-5-17(24-9-13(11)19(22)25-16)26-20(28)12-6-15(12)21/h2-5,7-9,12,15H,6H2,1H3,(H2,22,25)(H,24,26,28)/t12-,15+/m1/s1
InChIKeyLQTGLBWDLMNANX-DOMZBBRYSA-N
XLogP3.06
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cis-(1S,2S)-N-[8-amino-6-(1-methylpyrrolo[3,2-c]pyridin-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[8-amino-6-(1-methylpyrrolo[3,2-c]pyridin-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[8-amino-6-(1-methylpyrrolo[3,2-c]pyridin-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 135344753) is cis-(1S,2S)-N-[8-amino-6-(1-methylpyrrolo[3,2-c]pyridin-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[8-amino-6-(1-methylpyrrolo[3,2-c]pyridin-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[8-amino-6-(1-methylpyrrolo[3,2-c]pyridin-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is Cn1ccc2cncc(-c3cc4cc(NC(=O)[C@@H]5C[C@@H]5F)ncc4c(N)n3)c21.
What is the InChIKey of cis-(1S,2S)-N-[8-amino-6-(1-methylpyrrolo[3,2-c]pyridin-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is LQTGLBWDLMNANX-DOMZBBRYSA-N. The full InChI is InChI=1S/C20H17FN6O/c1-27-3-2-10-7-23-8-14(18(10)27)16-4-11-5-17(24-9-13(11)19(22)25-16)26-20(28)12-6-15(12)21/h2-5,7-9,12,15H,6H2,1H3,(H2,22,25)(H,24,26,28)/t12-,15+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[8-amino-6-(1-methylpyrrolo[3,2-c]pyridin-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[8-amino-6-(1-methylpyrrolo[3,2-c]pyridin-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 376.40 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[8-amino-6-(1-methylpyrrolo[3,2-c]pyridin-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 135344753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).