N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C23H22ClN7O2 — CID 135344605

About N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 135344605) has the molecular formula C23H22ClN7O2 and a molecular weight of 463.93 g/mol. Its IUPAC name is N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• PubChem CID: 135344605
• Molecular Formula: C23H22ClN7O2
• Molecular Weight: 463.93 g/mol
• Exact Mass: 463.15
• IUPAC Name: N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• SMILES: Cn1cc(C2CC2C(=O)Nc2cc3c(Cl)c(-c4cnccc4CCO)nc(N)c3cn2)cn1
• InChI: InChI=1S/C23H22ClN7O2/c1-31-11-13(8-28-31)14-6-16(14)23(33)29-19-7-15-18(10-27-19)22(25)30-21(20(15)24)17-9-26-4-2-12(17)3-5-32/h2,4,7-11,14,16,32H,3,5-6H2,1H3,(H2,25,30)(H,27,29,33)
• InChIKey: FUHXLRIFVDZOQM-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 131.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.93
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The IUPAC name of N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 135344605) is N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The canonical SMILES for N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cn1cc(C2CC2C(=O)Nc2cc3c(Cl)c(-c4cnccc4CCO)nc(N)c3cn2)cn1.

What is the InChIKey of N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The InChIKey is FUHXLRIFVDZOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O2/c1-31-11-13(8-28-31)14-6-16(14)23(33)29-19-7-15-18(10-27-19)22(25)30-21(20(15)24)17-9-26-4-2-12(17)3-5-32/h2,4,7-11,14,16,32H,3,5-6H2,1H3,(H2,25,30)(H,27,29,33).

What are the key properties of N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 463.93 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135344605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).