cis-(1R,2R)-N-[8-amino-6-[4-(1H-pyrazol-5-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(methyliminomethyl)cyclopropane-1-carboxamide

About cis-(1R,2R)-N-[8-amino-6-[4-(1H-pyrazol-5-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(methyliminomethyl)cyclopropane-1-carboxamide

cis-(1R,2R)-N-[8-amino-6-[4-(1H-pyrazol-5-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(methyliminomethyl)cyclopropane-1-carboxamide (PubChem CID 163646231) has the molecular formula C22H20N8O and a molecular weight of 412.46 g/mol. Its IUPAC name is cis-(1R,2R)-N-[8-amino-6-[4-(1H-pyrazol-5-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(methyliminomethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name	cis-(1R,2R)-N-[8-amino-6-[4-(1H-pyrazol-5-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(methyliminomethyl)cyclopropane-1-carboxamide
PubChem CID	163646231
Molecular Formula	C22H20N8O
Molecular Weight	412.46 g/mol
Exact Mass	412.18
IUPAC Name	cis-(1R,2R)-N-[8-amino-6-[4-(1H-pyrazol-5-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(methyliminomethyl)cyclopropane-1-carboxamide
SMILES	C/N=C/[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cnccc3-c3ccn[nH]3)nc(N)c2cn1
InChI	InChI=1S/C22H20N8O/c1-24-9-13-6-15(13)22(31)29-20-8-12-7-19(28-21(23)16(12)11-26-20)17-10-25-4-2-14(17)18-3-5-27-30-18/h2-5,7-11,13,15H,6H2,1H3,(H2,23,28)(H,27,30)(H,26,29,31)/b24-9+/t13-,15+/m0/s1
InChIKey	IILCOGCTJSYLMQ-MSAUSVRTSA-N
XLogP	2.94
TPSA	134.83 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.46
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[8-amino-6-[4-(1H-pyrazol-5-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(methyliminomethyl)cyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,2R)-N-[8-amino-6-[4-(1H-pyrazol-5-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(methyliminomethyl)cyclopropane-1-carboxamide (CID 163646231) is cis-(1R,2R)-N-[8-amino-6-[4-(1H-pyrazol-5-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(methyliminomethyl)cyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,2R)-N-[8-amino-6-[4-(1H-pyrazol-5-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(methyliminomethyl)cyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,2R)-N-[8-amino-6-[4-(1H-pyrazol-5-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(methyliminomethyl)cyclopropane-1-carboxamide is C/N=C/[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cnccc3-c3ccn[nH]3)nc(N)c2cn1.

What is the InChIKey of cis-(1R,2R)-N-[8-amino-6-[4-(1H-pyrazol-5-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(methyliminomethyl)cyclopropane-1-carboxamide?

The InChIKey is IILCOGCTJSYLMQ-MSAUSVRTSA-N. The full InChI is InChI=1S/C22H20N8O/c1-24-9-13-6-15(13)22(31)29-20-8-12-7-19(28-21(23)16(12)11-26-20)17-10-25-4-2-14(17)18-3-5-27-30-18/h2-5,7-11,13,15H,6H2,1H3,(H2,23,28)(H,27,30)(H,26,29,31)/b24-9+/t13-,15+/m0/s1.

What are the key properties of cis-(1R,2R)-N-[8-amino-6-[4-(1H-pyrazol-5-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(methyliminomethyl)cyclopropane-1-carboxamide?

cis-(1R,2R)-N-[8-amino-6-[4-(1H-pyrazol-5-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(methyliminomethyl)cyclopropane-1-carboxamide has a molecular weight of 412.46 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2R)-N-[8-amino-6-[4-(1H-pyrazol-5-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(methyliminomethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 163646231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).