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

C27H30N6O4 — CID 170677636

IUPACN-[5-[5-[(2R)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(-c2nc3cc(N4CCO[C@@H](C(C)(C)O)C4)ccc3o2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C27H30N6O4/c1-27(2,35)22-14-33(8-9-36-22)16-6-7-21-20(10-16)31-26(37-21)19-13-30-24(28-3)18-12-29-23(11-17(18)19)32-25(34)15-4-5-15/h6-7,10-13,15,22,35H,4-5,8-9,14H2,1-3H3,(H,28,30)(H,29,32,34)/t22-/m1/s1
InChIKeyOBVARTIRDNTZCX-JOCHJYFZSA-N
MW502.58 g/mol
LogP3.80
Rot. Bonds6

About 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

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 (PubChem CID 170677636) has the molecular formula C27H30N6O4 and a molecular weight of 502.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[5-[5-[(2R)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID170677636
Molecular FormulaC27H30N6O4
Molecular Weight502.58 g/mol
Exact Mass502.23
IUPAC NameN-[5-[5-[(2R)-2-(2-hydroxypropan-2-yl)morpholin-4-yl]-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(-c2nc3cc(N4CCO[C@@H](C(C)(C)O)C4)ccc3o2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C27H30N6O4/c1-27(2,35)22-14-33(8-9-36-22)16-6-7-21-20(10-16)31-26(37-21)19-13-30-24(28-3)18-12-29-23(11-17(18)19)32-25(34)15-4-5-15/h6-7,10-13,15,22,35H,4-5,8-9,14H2,1-3H3,(H,28,30)(H,29,32,34)/t22-/m1/s1
InChIKeyOBVARTIRDNTZCX-JOCHJYFZSA-N
XLogP3.80
TPSA125.64 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.58
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1ncc(-c2nc3cc(N4CCO[C@@H](C(C)(C)O)C4)ccc3o2)c2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of 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?
The InChIKey is OBVARTIRDNTZCX-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H30N6O4/c1-27(2,35)22-14-33(8-9-36-22)16-6-7-21-20(10-16)31-26(37-21)19-13-30-24(28-3)18-12-29-23(11-17(18)19)32-25(34)15-4-5-15/h6-7,10-13,15,22,35H,4-5,8-9,14H2,1-3H3,(H,28,30)(H,29,32,34)/t22-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 502.58 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170677636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).