N-[2-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-morpholin-4-ylpyridine-4-carboxamide

C27H30N8O3 — CID 138589121

IUPACN-[2-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCn1ncc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCOCC5)c4)cc3n2)c1CN1CCOCC1
InChIInChI=1S/C27H30N8O3/c1-33-24(18-34-6-10-37-11-7-34)21(17-30-33)22-3-2-20-16-29-25(15-23(20)31-22)32-27(36)19-4-5-28-26(14-19)35-8-12-38-13-9-35/h2-5,14-17H,6-13,18H2,1H3,(H,29,32,36)
InChIKeyLRQVOLNMDDKXGO-UHFFFAOYSA-N
MW514.59 g/mol
LogP2.35
Rot. Bonds6

About N-[2-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-morpholin-4-ylpyridine-4-carboxamide

N-[2-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 138589121) has the molecular formula C27H30N8O3 and a molecular weight of 514.59 g/mol. Its IUPAC name is N-[2-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-morpholin-4-ylpyridine-4-carboxamide
PubChem CID138589121
Molecular FormulaC27H30N8O3
Molecular Weight514.59 g/mol
Exact Mass514.24
IUPAC NameN-[2-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCn1ncc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCOCC5)c4)cc3n2)c1CN1CCOCC1
InChIInChI=1S/C27H30N8O3/c1-33-24(18-34-6-10-37-11-7-34)21(17-30-33)22-3-2-20-16-29-25(15-23(20)31-22)32-27(36)19-4-5-28-26(14-19)35-8-12-38-13-9-35/h2-5,14-17H,6-13,18H2,1H3,(H,29,32,36)
InChIKeyLRQVOLNMDDKXGO-UHFFFAOYSA-N
XLogP2.35
TPSA110.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.59
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-[2-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-morpholin-4-ylpyridine-4-carboxamide (CID 138589121) is N-[2-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-morpholin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-[2-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-morpholin-4-ylpyridine-4-carboxamide is Cn1ncc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCOCC5)c4)cc3n2)c1CN1CCOCC1.
What is the InChIKey of N-[2-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is LRQVOLNMDDKXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O3/c1-33-24(18-34-6-10-37-11-7-34)21(17-30-33)22-3-2-20-16-29-25(15-23(20)31-22)32-27(36)19-4-5-28-26(14-19)35-8-12-38-13-9-35/h2-5,14-17H,6-13,18H2,1H3,(H,29,32,36).
What are the key properties of N-[2-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
N-[2-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-morpholin-4-ylpyridine-4-carboxamide has a molecular weight of 514.59 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 138589121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).