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

C26H27N5O3 — CID 118659904

IUPAC[1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
SMILESCC(O)c1ccnc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1
InChIInChI=1S/C26H27N5O3/c1-17(32)18-4-7-27-22(12-18)20-14-28-25(29-15-20)31-16-26(5-6-26)21-3-2-19(13-23(21)31)24(33)30-8-10-34-11-9-30/h2-4,7,12-15,17,32H,5-6,8-11,16H2,1H3
InChIKeyDPGSCRNTRHLDNX-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.25
Rot. Bonds4

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

[1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (PubChem CID 118659904) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is [1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
PubChem CID118659904
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name[1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
SMILESCC(O)c1ccnc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1
InChIInChI=1S/C26H27N5O3/c1-17(32)18-4-7-27-22(12-18)20-14-28-25(29-15-20)31-16-26(5-6-26)21-3-2-19(13-23(21)31)24(33)30-8-10-34-11-9-30/h2-4,7,12-15,17,32H,5-6,8-11,16H2,1H3
InChIKeyDPGSCRNTRHLDNX-UHFFFAOYSA-N
XLogP3.25
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-(4-((5-(Hydroxymethyl)-2-methylphenyl)(methyl)amino)pyrimidin-2-ylamino)-5-morpholinophenyl)(morpholino)methanone
CID 25015412
[1-[5-(2,6-Difluoro-phenyl)-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-morpholin-4-yl-methanone
CID 118659763
1-[5-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 118659778
Morpholin-4-yl-[1-[5-[4-(trifluoromethyl)-pyridin-2-yl]-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-methanone
CID 118659780
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 118659789
1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 118659797
[1-[5-(2-Fluorophenyl)-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-morpholin-4-yl-methanone
CID 118659799
[1-[5-(2-Fluoro-4-methoxy-phenyl)-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-morpholin-4-yl-methanone
CID 118659807
[1-[5-(3,4-Difluoro-phenyl)-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-morpholin-4-yl-methanone
CID 118659808
[1-[5-(6-Fluoro-pyrimidin-4-yl)-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-morpholin-4-yl-methanone
CID 118659829
[1-[5-(5-Fluoro-pyridin-2-yl)-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-morpholin-4-yl-methanone
CID 118659833
[1-[5-[(2-Fluorophenyl)-methyl]-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-morpholin-4-yl-methanone
CID 118659845

Frequently Asked Questions

What is the IUPAC name of [1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (CID 118659904) is [1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is CC(O)c1ccnc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1.
What is the InChIKey of [1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The InChIKey is DPGSCRNTRHLDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-17(32)18-4-7-27-22(12-18)20-14-28-25(29-15-20)31-16-26(5-6-26)21-3-2-19(13-23(21)31)24(33)30-8-10-34-11-9-30/h2-4,7,12-15,17,32H,5-6,8-11,16H2,1H3.
What are the key properties of [1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
[1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone has a molecular weight of 457.53 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118659904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).