(2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide

About (2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide

(2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 139469116) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is (2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name	(2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID	139469116
Molecular Formula	C22H23N7O
Molecular Weight	401.47 g/mol
Exact Mass	401.20
IUPAC Name	(2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
SMILES	C=N/C=C\C(C)=C(/C)c1cc2cc(NC(=O)C3C[C@@H]3c3cn[nH]c3)ncc2c(N)n1
InChI	InChI=1S/C22H23N7O/c1-12(4-5-24-3)13(2)19-6-14-7-20(25-11-18(14)21(23)28-19)29-22(30)17-8-16(17)15-9-26-27-10-15/h4-7,9-11,16-17H,3,8H2,1-2H3,(H2,23,28)(H,26,27)(H,25,29,30)/b5-4-,13-12+/t16-,17?/m1/s1
InChIKey	GPMXGMMVYBRABO-ZCYBVYLYSA-N
XLogP	3.68
TPSA	121.94 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?

The IUPAC name of (2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide (CID 139469116) is (2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for (2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?

The canonical SMILES for (2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide is C=N/C=C\C(C)=C(/C)c1cc2cc(NC(=O)C3C[C@@H]3c3cn[nH]c3)ncc2c(N)n1.

What is the InChIKey of (2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?

The InChIKey is GPMXGMMVYBRABO-ZCYBVYLYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-12(4-5-24-3)13(2)19-6-14-7-20(25-11-18(14)21(23)28-19)29-22(30)17-8-16(17)15-9-26-27-10-15/h4-7,9-11,16-17H,3,8H2,1-2H3,(H2,23,28)(H,26,27)(H,25,29,30)/b5-4-,13-12+/t16-,17?/m1/s1.

What are the key properties of (2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?

(2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 139469116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).