[1-[5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone

C25H25N5O2 — CID 118659912

IUPAC[1-[5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
SMILESCc1cc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)ccn1
InChIInChI=1S/C25H25N5O2/c1-17-12-18(4-7-26-17)20-14-27-24(28-15-20)30-16-25(5-6-25)21-3-2-19(13-22(21)30)23(31)29-8-10-32-11-9-29/h2-4,7,12-15H,5-6,8-11,16H2,1H3
InChIKeyXZYRTUZXFZJMAB-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.50
Rot. Bonds3

About [1-[5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone

[1-[5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (PubChem CID 118659912) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is [1-[5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
PubChem CID118659912
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name[1-[5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
SMILESCc1cc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)ccn1
InChIInChI=1S/C25H25N5O2/c1-17-12-18(4-7-26-17)20-14-27-24(28-15-20)30-16-25(5-6-25)21-3-2-19(13-22(21)30)23(31)29-8-10-32-11-9-29/h2-4,7,12-15H,5-6,8-11,16H2,1H3
InChIKeyXZYRTUZXFZJMAB-UHFFFAOYSA-N
XLogP3.50
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[5-(3-chlorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118659884
[1-[5-(4-amino-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118659803
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-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118660008
[1-[5-(2-chlorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118659916
2-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide
CID 175044125
[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
[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
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-[(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

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (CID 118659912) is [1-[5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is Cc1cc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)ccn1.
What is the InChIKey of [1-[5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The InChIKey is XZYRTUZXFZJMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-17-12-18(4-7-26-17)20-14-27-24(28-15-20)30-16-25(5-6-25)21-3-2-19(13-22(21)30)23(31)29-8-10-32-11-9-29/h2-4,7,12-15H,5-6,8-11,16H2,1H3.
What are the key properties of [1-[5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
[1-[5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone has a molecular weight of 427.51 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118659912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).