ethyl 2-[[8-(methylamino)-5-[5-[(2S)-2-methylmorpholin-4-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]carbamoyl]cyclopropane-1-carboxylate

C28H30N6O5 — CID 170626702

IUPACethyl 2-[[8-(methylamino)-5-[5-[(2S)-2-methylmorpholin-4-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]carbamoyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C(=O)Nc1cc2c(-c3nc4cc(N5CCO[C@@H](C)C5)ccc4o3)cnc(NC)c2cn1
InChIInChI=1S/C28H30N6O5/c1-4-37-28(36)19-10-18(19)26(35)33-24-11-17-20(12-30-24)25(29-3)31-13-21(17)27-32-22-9-16(5-6-23(22)39-27)34-7-8-38-15(2)14-34/h5-6,9,11-13,15,18-19H,4,7-8,10,14H2,1-3H3,(H,29,31)(H,30,33,35)/t15-,18?,19?/m0/s1
InChIKeyRKBDBOZQADDFGL-MNNVXMFVSA-N
MW530.59 g/mol
LogP3.84
Rot. Bonds7

About ethyl 2-[[8-(methylamino)-5-[5-[(2S)-2-methylmorpholin-4-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]carbamoyl]cyclopropane-1-carboxylate

ethyl 2-[[8-(methylamino)-5-[5-[(2S)-2-methylmorpholin-4-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]carbamoyl]cyclopropane-1-carboxylate (PubChem CID 170626702) has the molecular formula C28H30N6O5 and a molecular weight of 530.59 g/mol. Its IUPAC name is ethyl 2-[[8-(methylamino)-5-[5-[(2S)-2-methylmorpholin-4-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]carbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[8-(methylamino)-5-[5-[(2S)-2-methylmorpholin-4-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]carbamoyl]cyclopropane-1-carboxylate
PubChem CID170626702
Molecular FormulaC28H30N6O5
Molecular Weight530.59 g/mol
Exact Mass530.23
IUPAC Nameethyl 2-[[8-(methylamino)-5-[5-[(2S)-2-methylmorpholin-4-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]carbamoyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C(=O)Nc1cc2c(-c3nc4cc(N5CCO[C@@H](C)C5)ccc4o3)cnc(NC)c2cn1
InChIInChI=1S/C28H30N6O5/c1-4-37-28(36)19-10-18(19)26(35)33-24-11-17-20(12-30-24)25(29-3)31-13-21(17)27-32-22-9-16(5-6-23(22)39-27)34-7-8-38-15(2)14-34/h5-6,9,11-13,15,18-19H,4,7-8,10,14H2,1-3H3,(H,29,31)(H,30,33,35)/t15-,18?,19?/m0/s1
InChIKeyRKBDBOZQADDFGL-MNNVXMFVSA-N
XLogP3.84
TPSA131.71 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.59
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze ethyl 2-[[8-(methylamino)-5-[5-[(2S)-2-methylmorpholin-4-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]carbamoyl]cyclopropane-1-carboxylate 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

YM-201636
CID 9956222
4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-3-ylmethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
CID 16067799
N-[2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-5-yl]acetamide
CID 44256275
4-Morpholin-4-yl-2-phenyl-pyrido[3'',2'':4,5]furo[3,2-d]pyrimidine
CID 44426435
2-[[4,4-Dimethyl-13-(pyridin-3-ylmethylamino)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-8-yl]amino]ethanol
CID 56642530
4-[[1-(5-Cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methyl-1,3-benzoxazol-5-yl)amino]pyridine-3-carboxamide
CID 68241014
3-(5-Piperidin-1-yl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 72725616
3-(6-Morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)aniline;dihydrochloride
CID 90664902
2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-N,N-dimethyl-1,3-benzoxazol-5-amine
CID 44256205
3-(5-Morpholin-4-yl-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 44256240
2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-N-methyl-N-phenyl-1,3-benzoxazol-5-amine
CID 44256244
2-(4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1,3-benzoxazole
CID 49821912

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[8-(methylamino)-5-[5-[(2S)-2-methylmorpholin-4-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]carbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[[8-(methylamino)-5-[5-[(2S)-2-methylmorpholin-4-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]carbamoyl]cyclopropane-1-carboxylate (CID 170626702) is ethyl 2-[[8-(methylamino)-5-[5-[(2S)-2-methylmorpholin-4-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]carbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[[8-(methylamino)-5-[5-[(2S)-2-methylmorpholin-4-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]carbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[[8-(methylamino)-5-[5-[(2S)-2-methylmorpholin-4-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]carbamoyl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1C(=O)Nc1cc2c(-c3nc4cc(N5CCO[C@@H](C)C5)ccc4o3)cnc(NC)c2cn1.
What is the InChIKey of ethyl 2-[[8-(methylamino)-5-[5-[(2S)-2-methylmorpholin-4-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]carbamoyl]cyclopropane-1-carboxylate?
The InChIKey is RKBDBOZQADDFGL-MNNVXMFVSA-N. The full InChI is InChI=1S/C28H30N6O5/c1-4-37-28(36)19-10-18(19)26(35)33-24-11-17-20(12-30-24)25(29-3)31-13-21(17)27-32-22-9-16(5-6-23(22)39-27)34-7-8-38-15(2)14-34/h5-6,9,11-13,15,18-19H,4,7-8,10,14H2,1-3H3,(H,29,31)(H,30,33,35)/t15-,18?,19?/m0/s1.
What are the key properties of ethyl 2-[[8-(methylamino)-5-[5-[(2S)-2-methylmorpholin-4-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]carbamoyl]cyclopropane-1-carboxylate?
ethyl 2-[[8-(methylamino)-5-[5-[(2S)-2-methylmorpholin-4-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]carbamoyl]cyclopropane-1-carboxylate has a molecular weight of 530.59 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[8-(methylamino)-5-[5-[(2S)-2-methylmorpholin-4-yl]-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]carbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 170626702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).