trans-(1S,2S)-N-[8-amino-6-(6-methoxy-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C23H23N7O2 — CID 135344929

IUPACtrans-(1S,2S)-N-[8-amino-6-(6-methoxy-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCOc1cc(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4c4cnn(C)c4)ncc3c(N)n2)cn1
InChIInChI=1S/C23H23N7O2/c1-12-4-21(32-3)26-9-17(12)19-5-13-6-20(25-10-18(13)22(24)28-19)29-23(31)16-7-15(16)14-8-27-30(2)11-14/h4-6,8-11,15-16H,7H2,1-3H3,(H2,24,28)(H,25,29,31)/t15-,16+/m1/s1
InChIKeyLLMHWVVFOGYINZ-CVEARBPZSA-N
MW429.48 g/mol
LogP3.07
Rot. Bonds5

About trans-(1S,2S)-N-[8-amino-6-(6-methoxy-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-[8-amino-6-(6-methoxy-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 135344929) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is trans-(1S,2S)-N-[8-amino-6-(6-methoxy-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[8-amino-6-(6-methoxy-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID135344929
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Nametrans-(1S,2S)-N-[8-amino-6-(6-methoxy-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCOc1cc(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4c4cnn(C)c4)ncc3c(N)n2)cn1
InChIInChI=1S/C23H23N7O2/c1-12-4-21(32-3)26-9-17(12)19-5-13-6-20(25-10-18(13)22(24)28-19)29-23(31)16-7-15(16)14-8-27-30(2)11-14/h4-6,8-11,15-16H,7H2,1-3H3,(H2,24,28)(H,25,29,31)/t15-,16+/m1/s1
InChIKeyLLMHWVVFOGYINZ-CVEARBPZSA-N
XLogP3.07
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[8-amino-6-(6-methoxy-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[8-amino-6-(6-methoxy-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 135344929) is trans-(1S,2S)-N-[8-amino-6-(6-methoxy-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[8-amino-6-(6-methoxy-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[8-amino-6-(6-methoxy-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is COc1cc(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4c4cnn(C)c4)ncc3c(N)n2)cn1.
What is the InChIKey of trans-(1S,2S)-N-[8-amino-6-(6-methoxy-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is LLMHWVVFOGYINZ-CVEARBPZSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-12-4-21(32-3)26-9-17(12)19-5-13-6-20(25-10-18(13)22(24)28-19)29-23(31)16-7-15(16)14-8-27-30(2)11-14/h4-6,8-11,15-16H,7H2,1-3H3,(H2,24,28)(H,25,29,31)/t15-,16+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[8-amino-6-(6-methoxy-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-[8-amino-6-(6-methoxy-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[8-amino-6-(6-methoxy-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135344929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).