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

C24H25N7O2 — CID 135345312

IUPACtrans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESCOCCn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(-c4cnccc4C)nc(N)c3cn2)cn1
InChIInChI=1S/C24H25N7O2/c1-14-3-4-26-11-19(14)21-7-15-8-22(27-12-20(15)23(25)29-21)30-24(32)18-9-17(18)16-10-28-31(13-16)5-6-33-2/h3-4,7-8,10-13,17-18H,5-6,9H2,1-2H3,(H2,25,29)(H,27,30,32)/t17-,18+/m0/s1
InChIKeyULYVIFITXVJVHW-ZWKOTPCHSA-N
MW443.51 g/mol
LogP3.17
Rot. Bonds7

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

trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide (PubChem CID 135345312) 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-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide
PubChem CID135345312
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Nametrans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESCOCCn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(-c4cnccc4C)nc(N)c3cn2)cn1
InChIInChI=1S/C24H25N7O2/c1-14-3-4-26-11-19(14)21-7-15-8-22(27-12-20(15)23(25)29-21)30-24(32)18-9-17(18)16-10-28-31(13-16)5-6-33-2/h3-4,7-8,10-13,17-18H,5-6,9H2,1-2H3,(H2,25,29)(H,27,30,32)/t17-,18+/m0/s1
InChIKeyULYVIFITXVJVHW-ZWKOTPCHSA-N
XLogP3.17
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide (CID 135345312) is trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide is COCCn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(-c4cnccc4C)nc(N)c3cn2)cn1.
What is the InChIKey of trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide?
The InChIKey is ULYVIFITXVJVHW-ZWKOTPCHSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-14-3-4-26-11-19(14)21-7-15-8-22(27-12-20(15)23(25)29-21)30-24(32)18-9-17(18)16-10-28-31(13-16)5-6-33-2/h3-4,7-8,10-13,17-18H,5-6,9H2,1-2H3,(H2,25,29)(H,27,30,32)/t17-,18+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.17, 7 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-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 135345312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).