2-hydroxy-N-[[1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]-N-methylacetamide

C26H29N5O3 — CID 129309244

IUPAC2-hydroxy-N-[[1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]-N-methylacetamide
SMILESCN(Cc1ccc2c(c1)N(c1ncc(-c3cc(C(C)(C)O)ccn3)cn1)CC21CC1)C(=O)CO
InChIInChI=1S/C26H29N5O3/c1-25(2,34)19-6-9-27-21(11-19)18-12-28-24(29-13-18)31-16-26(7-8-26)20-5-4-17(10-22(20)31)14-30(3)23(33)15-32/h4-6,9-13,32,34H,7-8,14-16H2,1-3H3
InChIKeyLMHZRZGAQIVHER-UHFFFAOYSA-N
MW459.55 g/mol
LogP2.90
Rot. Bonds6

About 2-hydroxy-N-[[1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]-N-methylacetamide

2-hydroxy-N-[[1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]-N-methylacetamide (PubChem CID 129309244) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-hydroxy-N-[[1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[[1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]-N-methylacetamide
PubChem CID129309244
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC Name2-hydroxy-N-[[1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]-N-methylacetamide
SMILESCN(Cc1ccc2c(c1)N(c1ncc(-c3cc(C(C)(C)O)ccn3)cn1)CC21CC1)C(=O)CO
InChIInChI=1S/C26H29N5O3/c1-25(2,34)19-6-9-27-21(11-19)18-12-28-24(29-13-18)31-16-26(7-8-26)20-5-4-17(10-22(20)31)14-30(3)23(33)15-32/h4-6,9-13,32,34H,7-8,14-16H2,1-3H3
InChIKeyLMHZRZGAQIVHER-UHFFFAOYSA-N
XLogP2.90
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[2-(6-dimethylphosphorylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]-4-pyridinyl]propan-2-ol
CID 129309332
2-[2-[2-[6-[(S)-3-hydroxypropylsulfinyl]spiro[2H-indole-3,3'-oxetane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]propan-2-ol
CID 129295522
N-(2-hydroxyethyl)-N-methyl-1-[5-(4-pyrrolidin-1-yl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 118659985
N-(2-hydroxyethyl)-N-methyl-1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxamide
CID 129282474
1-[5-(4-ethyl-2-pyridinyl)pyrimidin-2-yl]-6-methylsulfinylspiro[2H-indole-3,1'-cyclopropane]
CID 129309271
2-[2-[6-[(R)-ethylsulfinyl]spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]pyridine-4-carbonitrile
CID 129309309
2-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]sulfonylethanol
CID 129282272
1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 138403783
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-[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-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfinylspiro[2H-indole-3,3'-oxetane]
CID 129295447
(E)-1-[1-[5-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-5-hydroxy-2-methylpent-2-en-1-one
CID 144998575

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]-N-methylacetamide?
The IUPAC name of 2-hydroxy-N-[[1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]-N-methylacetamide (CID 129309244) is 2-hydroxy-N-[[1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-hydroxy-N-[[1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]-N-methylacetamide?
The canonical SMILES for 2-hydroxy-N-[[1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]-N-methylacetamide is CN(Cc1ccc2c(c1)N(c1ncc(-c3cc(C(C)(C)O)ccn3)cn1)CC21CC1)C(=O)CO.
What is the InChIKey of 2-hydroxy-N-[[1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]-N-methylacetamide?
The InChIKey is LMHZRZGAQIVHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-25(2,34)19-6-9-27-21(11-19)18-12-28-24(29-13-18)31-16-26(7-8-26)20-5-4-17(10-22(20)31)14-30(3)23(33)15-32/h4-6,9-13,32,34H,7-8,14-16H2,1-3H3.
What are the key properties of 2-hydroxy-N-[[1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]-N-methylacetamide?
2-hydroxy-N-[[1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]-N-methylacetamide has a molecular weight of 459.55 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 129309244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).