N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-[1-(oxan-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide

C20H21ClN6O2 — CID 135344544

IUPACN-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-[1-(oxan-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESNc1nc(Cl)cc2cc(NC(=O)C3CC3c3ccn(C4CCCCO4)n3)ncc12
InChIInChI=1S/C20H21ClN6O2/c21-16-7-11-8-17(23-10-14(11)19(22)24-16)25-20(28)13-9-12(13)15-4-5-27(26-15)18-3-1-2-6-29-18/h4-5,7-8,10,12-13,18H,1-3,6,9H2,(H2,22,24)(H,23,25,28)
InChIKeyIKSZPTCILGKGPW-UHFFFAOYSA-N
MW412.88 g/mol
LogP3.50
Rot. Bonds4

About N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-[1-(oxan-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide

N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-[1-(oxan-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 135344544) has the molecular formula C20H21ClN6O2 and a molecular weight of 412.88 g/mol. Its IUPAC name is N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-[1-(oxan-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-[1-(oxan-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
PubChem CID135344544
Molecular FormulaC20H21ClN6O2
Molecular Weight412.88 g/mol
Exact Mass412.14
IUPAC NameN-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-[1-(oxan-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESNc1nc(Cl)cc2cc(NC(=O)C3CC3c3ccn(C4CCCCO4)n3)ncc12
InChIInChI=1S/C20H21ClN6O2/c21-16-7-11-8-17(23-10-14(11)19(22)24-16)25-20(28)13-9-12(13)15-4-5-27(26-15)18-3-1-2-6-29-18/h4-5,7-8,10,12-13,18H,1-3,6,9H2,(H2,22,24)(H,23,25,28)
InChIKeyIKSZPTCILGKGPW-UHFFFAOYSA-N
XLogP3.50
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-[1-(oxan-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-[1-(oxan-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide (CID 135344544) is N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-[1-(oxan-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-[1-(oxan-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-[1-(oxan-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide is Nc1nc(Cl)cc2cc(NC(=O)C3CC3c3ccn(C4CCCCO4)n3)ncc12.
What is the InChIKey of N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-[1-(oxan-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is IKSZPTCILGKGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2/c21-16-7-11-8-17(23-10-14(11)19(22)24-16)25-20(28)13-9-12(13)15-4-5-27(26-15)18-3-1-2-6-29-18/h4-5,7-8,10,12-13,18H,1-3,6,9H2,(H2,22,24)(H,23,25,28).
What are the key properties of N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-[1-(oxan-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide?
N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-[1-(oxan-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 412.88 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-[1-(oxan-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 135344544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).