2-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide

C26H26N6O3 — CID 175044125

IUPAC2-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide
SMILESNC(=O)Cc1ccnc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1
InChIInChI=1S/C26H26N6O3/c27-23(33)12-17-3-6-28-21(11-17)19-14-29-25(30-15-19)32-16-26(4-5-26)20-2-1-18(13-22(20)32)24(34)31-7-9-35-10-8-31/h1-3,6,11,13-15H,4-5,7-10,12,16H2,(H2,27,33)
InChIKeyTZZSCWVRXGDLAC-UHFFFAOYSA-N
MW470.53 g/mol
LogP2.22
Rot. Bonds5

About 2-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide

2-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide (PubChem CID 175044125) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is 2-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide
PubChem CID175044125
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC Name2-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide
SMILESNC(=O)Cc1ccnc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1
InChIInChI=1S/C26H26N6O3/c27-23(33)12-17-3-6-28-21(11-17)19-14-29-25(30-15-19)32-16-26(4-5-26)20-2-1-18(13-22(20)32)24(34)31-7-9-35-10-8-31/h1-3,6,11,13-15H,4-5,7-10,12,16H2,(H2,27,33)
InChIKeyTZZSCWVRXGDLAC-UHFFFAOYSA-N
XLogP2.22
TPSA114.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[5-(4-amino-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118659803
[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118660008
N-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide
CID 118660029
[1-[5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118659912
[1-[5-(3-chlorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118659884
[1-[5-(2-chlorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118659916
[1-[5-[(2-fluorophenyl)methyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118659845
[1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-pyrrolidin-1-ylmethanone
CID 118659756
[1-[5-[5-(2-hydroxypropan-2-yl)thiophen-2-yl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118660291
ethane;[1-[5-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 144998737
[1-[5-(3-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-morpholin-4-ylmethanone
CID 129282310
[1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-morpholin-4-ylmethanone
CID 129282314

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide?
The IUPAC name of 2-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide (CID 175044125) is 2-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide.
What is the SMILES notation for 2-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide?
The canonical SMILES for 2-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide is NC(=O)Cc1ccnc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1.
What is the InChIKey of 2-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide?
The InChIKey is TZZSCWVRXGDLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c27-23(33)12-17-3-6-28-21(11-17)19-14-29-25(30-15-19)32-16-26(4-5-26)20-2-1-18(13-22(20)32)24(34)31-7-9-35-10-8-31/h1-3,6,11,13-15H,4-5,7-10,12,16H2,(H2,27,33).
What are the key properties of 2-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide?
2-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide has a molecular weight of 470.53 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide is sourced from PubChem (CID 175044125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).