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

C24H25N7O2 — CID 135345419

IUPACtrans-(1R,2R)-N-[8-amino-6-[6-(methoxymethyl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCOCc1cc(C)c(-c2cc3cc(NC(=O)[C@@H]4C[C@H]4c4cnn(C)c4)ncc3c(N)n2)cn1
InChIInChI=1S/C24H25N7O2/c1-13-4-16(12-33-3)26-9-19(13)21-5-14-6-22(27-10-20(14)23(25)29-21)30-24(32)18-7-17(18)15-8-28-31(2)11-15/h4-6,8-11,17-18H,7,12H2,1-3H3,(H2,25,29)(H,27,30,32)/t17-,18+/m0/s1
InChIKeyUPBAXMJISFIZPL-ZWKOTPCHSA-N
MW443.51 g/mol
LogP3.20
Rot. Bonds6

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

trans-(1R,2R)-N-[8-amino-6-[6-(methoxymethyl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 135345419) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is trans-(1R,2R)-N-[8-amino-6-[6-(methoxymethyl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[8-amino-6-[6-(methoxymethyl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID135345419
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Nametrans-(1R,2R)-N-[8-amino-6-[6-(methoxymethyl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCOCc1cc(C)c(-c2cc3cc(NC(=O)[C@@H]4C[C@H]4c4cnn(C)c4)ncc3c(N)n2)cn1
InChIInChI=1S/C24H25N7O2/c1-13-4-16(12-33-3)26-9-19(13)21-5-14-6-22(27-10-20(14)23(25)29-21)30-24(32)18-7-17(18)15-8-28-31(2)11-15/h4-6,8-11,17-18H,7,12H2,1-3H3,(H2,25,29)(H,27,30,32)/t17-,18+/m0/s1
InChIKeyUPBAXMJISFIZPL-ZWKOTPCHSA-N
XLogP3.20
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[8-amino-6-[6-(methoxymethyl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[8-amino-6-[6-(methoxymethyl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 135345419) is trans-(1R,2R)-N-[8-amino-6-[6-(methoxymethyl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[8-amino-6-[6-(methoxymethyl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[8-amino-6-[6-(methoxymethyl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is COCc1cc(C)c(-c2cc3cc(NC(=O)[C@@H]4C[C@H]4c4cnn(C)c4)ncc3c(N)n2)cn1.
What is the InChIKey of trans-(1R,2R)-N-[8-amino-6-[6-(methoxymethyl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is UPBAXMJISFIZPL-ZWKOTPCHSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-13-4-16(12-33-3)26-9-19(13)21-5-14-6-22(27-10-20(14)23(25)29-21)30-24(32)18-7-17(18)15-8-28-31(2)11-15/h4-6,8-11,17-18H,7,12H2,1-3H3,(H2,25,29)(H,27,30,32)/t17-,18+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[8-amino-6-[6-(methoxymethyl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[8-amino-6-[6-(methoxymethyl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[8-amino-6-[6-(methoxymethyl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135345419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).