cis-(1S,2S)-2-fluoro-N-[3-(7-methoxyimidazo[1,2-a]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide

C18H15FN6O2 — CID 163250790

IUPACcis-(1S,2S)-2-fluoro-N-[3-(7-methoxyimidazo[1,2-a]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide
SMILESCOc1nc2nccn2cc1-c1c[nH]c2nc(NC(=O)[C@@H]3C[C@@H]3F)ccc12
InChIInChI=1S/C18H15FN6O2/c1-27-17-12(8-25-5-4-20-18(25)24-17)11-7-21-15-9(11)2-3-14(22-15)23-16(26)10-6-13(10)19/h2-5,7-8,10,13H,6H2,1H3,(H2,21,22,23,26)/t10-,13+/m1/s1
InChIKeyRWYDEIXXZCFRSE-MFKMUULPSA-N
MW366.36 g/mol
LogP2.58
Rot. Bonds4

About cis-(1S,2S)-2-fluoro-N-[3-(7-methoxyimidazo[1,2-a]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide

cis-(1S,2S)-2-fluoro-N-[3-(7-methoxyimidazo[1,2-a]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide (PubChem CID 163250790) has the molecular formula C18H15FN6O2 and a molecular weight of 366.36 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[3-(7-methoxyimidazo[1,2-a]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[3-(7-methoxyimidazo[1,2-a]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide
PubChem CID163250790
Molecular FormulaC18H15FN6O2
Molecular Weight366.36 g/mol
Exact Mass366.12
IUPAC Namecis-(1S,2S)-2-fluoro-N-[3-(7-methoxyimidazo[1,2-a]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide
SMILESCOc1nc2nccn2cc1-c1c[nH]c2nc(NC(=O)[C@@H]3C[C@@H]3F)ccc12
InChIInChI=1S/C18H15FN6O2/c1-27-17-12(8-25-5-4-20-18(25)24-17)11-7-21-15-9(11)2-3-14(22-15)23-16(26)10-6-13(10)19/h2-5,7-8,10,13H,6H2,1H3,(H2,21,22,23,26)/t10-,13+/m1/s1
InChIKeyRWYDEIXXZCFRSE-MFKMUULPSA-N
XLogP2.58
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cis-(1S,2S)-2-fluoro-N-[3-(7-methoxyimidazo[1,2-a]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[3-(7-methoxyimidazo[1,2-a]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-[3-(7-methoxyimidazo[1,2-a]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide (CID 163250790) is cis-(1S,2S)-2-fluoro-N-[3-(7-methoxyimidazo[1,2-a]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[3-(7-methoxyimidazo[1,2-a]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[3-(7-methoxyimidazo[1,2-a]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide is COc1nc2nccn2cc1-c1c[nH]c2nc(NC(=O)[C@@H]3C[C@@H]3F)ccc12.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[3-(7-methoxyimidazo[1,2-a]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide?
The InChIKey is RWYDEIXXZCFRSE-MFKMUULPSA-N. The full InChI is InChI=1S/C18H15FN6O2/c1-27-17-12(8-25-5-4-20-18(25)24-17)11-7-21-15-9(11)2-3-14(22-15)23-16(26)10-6-13(10)19/h2-5,7-8,10,13H,6H2,1H3,(H2,21,22,23,26)/t10-,13+/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[3-(7-methoxyimidazo[1,2-a]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[3-(7-methoxyimidazo[1,2-a]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide has a molecular weight of 366.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-N-[3-(7-methoxyimidazo[1,2-a]pyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 163250790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).