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

C26H25N9O — CID 135344852

IUPACtrans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1cc(-c2ccn(C)n2)ncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C26H25N9O/c1-14-6-23(21-4-5-34(2)33-21)28-11-19(14)22-7-15-8-24(29-12-20(15)25(27)31-22)32-26(36)18-9-17(18)16-10-30-35(3)13-16/h4-8,10-13,17-18H,9H2,1-3H3,(H2,27,31)(H,29,32,36)/t17-,18+/m1/s1
InChIKeyHGPQWQNQMYTSGW-MSOLQXFVSA-N
MW479.55 g/mol
LogP3.46
Rot. Bonds5

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

trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 135344852) has the molecular formula C26H25N9O and a molecular weight of 479.55 g/mol. Its IUPAC name is trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-3-yl)-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-[4-methyl-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID135344852
Molecular FormulaC26H25N9O
Molecular Weight479.55 g/mol
Exact Mass479.22
IUPAC Nametrans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1cc(-c2ccn(C)n2)ncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C26H25N9O/c1-14-6-23(21-4-5-34(2)33-21)28-11-19(14)22-7-15-8-24(29-12-20(15)25(27)31-22)32-26(36)18-9-17(18)16-10-30-35(3)13-16/h4-8,10-13,17-18H,9H2,1-3H3,(H2,27,31)(H,29,32,36)/t17-,18+/m1/s1
InChIKeyHGPQWQNQMYTSGW-MSOLQXFVSA-N
XLogP3.46
TPSA129.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.55
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-3-yl)-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-[4-methyl-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 135344852) is trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-3-yl)-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-[4-methyl-6-(1-methylpyrazol-3-yl)-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-[4-methyl-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cc1cc(-c2ccn(C)n2)ncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1.
What is the InChIKey of trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is HGPQWQNQMYTSGW-MSOLQXFVSA-N. The full InChI is InChI=1S/C26H25N9O/c1-14-6-23(21-4-5-34(2)33-21)28-11-19(14)22-7-15-8-24(29-12-20(15)25(27)31-22)32-26(36)18-9-17(18)16-10-30-35(3)13-16/h4-8,10-13,17-18H,9H2,1-3H3,(H2,27,31)(H,29,32,36)/t17-,18+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 479.55 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135344852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).