cis-(1S,2S)-2-fluoro-N-[8-(methylamino)-5-[6-[[(2R)-2-propan-2-yloxypropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide

C25H29FN8O2 — CID 170677820

IUPACcis-(1S,2S)-2-fluoro-N-[8-(methylamino)-5-[6-[[(2R)-2-propan-2-yloxypropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
SMILESCNc1ncc(-c2nc3ccc(NC[C@@H](C)OC(C)C)cn3n2)c2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12
InChIInChI=1S/C25H29FN8O2/c1-13(2)36-14(3)9-28-15-5-6-22-32-24(33-34(22)12-15)19-11-30-23(27-4)18-10-29-21(8-16(18)19)31-25(35)17-7-20(17)26/h5-6,8,10-14,17,20,28H,7,9H2,1-4H3,(H,27,30)(H,29,31,35)/t14-,17-,20+/m1/s1
InChIKeyPTJQRWSSZBQBMF-ZTQAJYAQSA-N
MW492.56 g/mol
LogP3.90
Rot. Bonds9

About cis-(1S,2S)-2-fluoro-N-[8-(methylamino)-5-[6-[[(2R)-2-propan-2-yloxypropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide

cis-(1S,2S)-2-fluoro-N-[8-(methylamino)-5-[6-[[(2R)-2-propan-2-yloxypropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide (PubChem CID 170677820) has the molecular formula C25H29FN8O2 and a molecular weight of 492.56 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[8-(methylamino)-5-[6-[[(2R)-2-propan-2-yloxypropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[8-(methylamino)-5-[6-[[(2R)-2-propan-2-yloxypropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
PubChem CID170677820
Molecular FormulaC25H29FN8O2
Molecular Weight492.56 g/mol
Exact Mass492.24
IUPAC Namecis-(1S,2S)-2-fluoro-N-[8-(methylamino)-5-[6-[[(2R)-2-propan-2-yloxypropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
SMILESCNc1ncc(-c2nc3ccc(NC[C@@H](C)OC(C)C)cn3n2)c2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12
InChIInChI=1S/C25H29FN8O2/c1-13(2)36-14(3)9-28-15-5-6-22-32-24(33-34(22)12-15)19-11-30-23(27-4)18-10-29-21(8-16(18)19)31-25(35)17-7-20(17)26/h5-6,8,10-14,17,20,28H,7,9H2,1-4H3,(H,27,30)(H,29,31,35)/t14-,17-,20+/m1/s1
InChIKeyPTJQRWSSZBQBMF-ZTQAJYAQSA-N
XLogP3.90
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze cis-(1S,2S)-2-fluoro-N-[8-(methylamino)-5-[6-[[(2R)-2-propan-2-yloxypropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-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-[8-(methylamino)-5-[6-[[(2R)-2-propan-2-yloxypropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-[8-(methylamino)-5-[6-[[(2R)-2-propan-2-yloxypropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide (CID 170677820) is cis-(1S,2S)-2-fluoro-N-[8-(methylamino)-5-[6-[[(2R)-2-propan-2-yloxypropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[8-(methylamino)-5-[6-[[(2R)-2-propan-2-yloxypropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[8-(methylamino)-5-[6-[[(2R)-2-propan-2-yloxypropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide is CNc1ncc(-c2nc3ccc(NC[C@@H](C)OC(C)C)cn3n2)c2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[8-(methylamino)-5-[6-[[(2R)-2-propan-2-yloxypropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is PTJQRWSSZBQBMF-ZTQAJYAQSA-N. The full InChI is InChI=1S/C25H29FN8O2/c1-13(2)36-14(3)9-28-15-5-6-22-32-24(33-34(22)12-15)19-11-30-23(27-4)18-10-29-21(8-16(18)19)31-25(35)17-7-20(17)26/h5-6,8,10-14,17,20,28H,7,9H2,1-4H3,(H,27,30)(H,29,31,35)/t14-,17-,20+/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[8-(methylamino)-5-[6-[[(2R)-2-propan-2-yloxypropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[8-(methylamino)-5-[6-[[(2R)-2-propan-2-yloxypropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 492.56 g/mol, XLogP of 3.90, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-N-[8-(methylamino)-5-[6-[[(2R)-2-propan-2-yloxypropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 170677820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).