(2S)-1-[2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]azetidine-2-carboxamide

C24H23N7O3 — CID 170626807

IUPAC(2S)-1-[2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]azetidine-2-carboxamide
SMILESCNc1ncc(-c2nc3cc(N4CC[C@H]4C(N)=O)ccc3o2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C24H23N7O3/c1-26-22-15-10-27-20(30-23(33)12-2-3-12)9-14(15)16(11-28-22)24-29-17-8-13(4-5-19(17)34-24)31-7-6-18(31)21(25)32/h4-5,8-12,18H,2-3,6-7H2,1H3,(H2,25,32)(H,26,28)(H,27,30,33)/t18-/m0/s1
InChIKeyYXPDNAMUEJYWOU-SFHVURJKSA-N
MW457.49 g/mol
LogP2.89
Rot. Bonds6

About (2S)-1-[2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]azetidine-2-carboxamide

(2S)-1-[2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]azetidine-2-carboxamide (PubChem CID 170626807) has the molecular formula C24H23N7O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is (2S)-1-[2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]azetidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]azetidine-2-carboxamide
PubChem CID170626807
Molecular FormulaC24H23N7O3
Molecular Weight457.49 g/mol
Exact Mass457.19
IUPAC Name(2S)-1-[2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]azetidine-2-carboxamide
SMILESCNc1ncc(-c2nc3cc(N4CC[C@H]4C(N)=O)ccc3o2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C24H23N7O3/c1-26-22-15-10-27-20(30-23(33)12-2-3-12)9-14(15)16(11-28-22)24-29-17-8-13(4-5-19(17)34-24)31-7-6-18(31)21(25)32/h4-5,8-12,18H,2-3,6-7H2,1H3,(H2,25,32)(H,26,28)(H,27,30,33)/t18-/m0/s1
InChIKeyYXPDNAMUEJYWOU-SFHVURJKSA-N
XLogP2.89
TPSA139.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2S)-1-[2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]azetidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[5-[(2S)-2-cyanoazetidin-1-yl]-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626716
N-[5-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170678127
N-[5-(5-amino-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626703
N-[5-[5-(3-methoxypyrrolidin-1-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 174204243
N-[5-[5-[(2R)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677636
N-[5-[5-(6-methoxy-4-methyl-1,4-diazepan-1-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 174182679
N-[8-(methylamino)-5-[5-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;hydrochloride
CID 170626542
N-[5-[5-(4-acetyl-6-ethyl-1,4-diazepan-1-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 174182671
N-[5-[5-(3-methoxyazetidin-1-yl)-1,3-benzoxazol-2-yl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627093
N-[5-[5-(2-methoxyethoxy)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626779
N-[5-(5-bromo-1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627187
2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-N-(cyclopropylmethyl)-1,3-benzoxazole-5-carboxamide
CID 170677758

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]azetidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]azetidine-2-carboxamide (CID 170626807) is (2S)-1-[2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]azetidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]azetidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]azetidine-2-carboxamide is CNc1ncc(-c2nc3cc(N4CC[C@H]4C(N)=O)ccc3o2)c2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of (2S)-1-[2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]azetidine-2-carboxamide?
The InChIKey is YXPDNAMUEJYWOU-SFHVURJKSA-N. The full InChI is InChI=1S/C24H23N7O3/c1-26-22-15-10-27-20(30-23(33)12-2-3-12)9-14(15)16(11-28-22)24-29-17-8-13(4-5-19(17)34-24)31-7-6-18(31)21(25)32/h4-5,8-12,18H,2-3,6-7H2,1H3,(H2,25,32)(H,26,28)(H,27,30,33)/t18-/m0/s1.
What are the key properties of (2S)-1-[2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]azetidine-2-carboxamide?
(2S)-1-[2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]azetidine-2-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]azetidine-2-carboxamide is sourced from PubChem (CID 170626807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).