4'-(cyclopropylamino)-2'-(hydroxymethyl)-7'-(2-piperidin-1-ylpyrimidin-5-yl)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one

C23H29N7O2 — CID 176889101

IUPAC4'-(cyclopropylamino)-2'-(hydroxymethyl)-7'-(2-piperidin-1-ylpyrimidin-5-yl)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one
SMILESO=C1N(c2cnc(N3CCCCC3)nc2)c2nc(CO)nc(NC3CC3)c2C12CCCC2
InChIInChI=1S/C23H29N7O2/c31-14-17-27-19(26-15-6-7-15)18-20(28-17)30(21(32)23(18)8-2-3-9-23)16-12-24-22(25-13-16)29-10-4-1-5-11-29/h12-13,15,31H,1-11,14H2,(H,26,27,28)
InChIKeyLMDYAVQAFIRBHL-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.81
Rot. Bonds5

About 4'-(cyclopropylamino)-2'-(hydroxymethyl)-7'-(2-piperidin-1-ylpyrimidin-5-yl)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one

4'-(cyclopropylamino)-2'-(hydroxymethyl)-7'-(2-piperidin-1-ylpyrimidin-5-yl)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one (PubChem CID 176889101) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 4'-(cyclopropylamino)-2'-(hydroxymethyl)-7'-(2-piperidin-1-ylpyrimidin-5-yl)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one.

Molecular Properties

Compound Name4'-(cyclopropylamino)-2'-(hydroxymethyl)-7'-(2-piperidin-1-ylpyrimidin-5-yl)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one
PubChem CID176889101
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Name4'-(cyclopropylamino)-2'-(hydroxymethyl)-7'-(2-piperidin-1-ylpyrimidin-5-yl)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one
SMILESO=C1N(c2cnc(N3CCCCC3)nc2)c2nc(CO)nc(NC3CC3)c2C12CCCC2
InChIInChI=1S/C23H29N7O2/c31-14-17-27-19(26-15-6-7-15)18-20(28-17)30(21(32)23(18)8-2-3-9-23)16-12-24-22(25-13-16)29-10-4-1-5-11-29/h12-13,15,31H,1-11,14H2,(H,26,27,28)
InChIKeyLMDYAVQAFIRBHL-UHFFFAOYSA-N
XLogP2.81
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4'-(cyclopropylamino)-2'-(hydroxymethyl)-7'-(2-piperidin-1-ylpyrimidin-5-yl)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one with MolForge

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Related Compounds

2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'-(cyclopropylamino)-7'-(4-morpholin-4-ylphenyl)spiro[cyclohexane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one
CID 177284258
2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7'-(2-cyclopropylpyrimidin-5-yl)-4'-(methylamino)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one
CID 177284571
7'-(6-cyclohexyl-3-pyridinyl)-2'-(hydroxymethyl)spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one
CID 175988602
N-[[2-(azepan-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 55113924
N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146198
[1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-4-yl]methanol
CID 60504541
[7-[2-(4,4-dimethyl-1,4-azasilinan-1-yl)pyrimidin-5-yl]-5,5-dimethyl-4-(methylamino)-6-oxopyrrolo[2,3-d]pyrimidin-2-yl]methyl (2S)-2-(trifluoromethyl)pyrrolidine-1-carboximidate
CID 177284619
piperidin-1-yl-[1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53146162
3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide
CID 122298424
N-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146132
[4-(cyclopropylamino)-7-(4-fluoro-2-methoxyphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol
CID 177284635
1-(2-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 53146183

Frequently Asked Questions

What is the IUPAC name of 4'-(cyclopropylamino)-2'-(hydroxymethyl)-7'-(2-piperidin-1-ylpyrimidin-5-yl)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one?
The IUPAC name of 4'-(cyclopropylamino)-2'-(hydroxymethyl)-7'-(2-piperidin-1-ylpyrimidin-5-yl)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one (CID 176889101) is 4'-(cyclopropylamino)-2'-(hydroxymethyl)-7'-(2-piperidin-1-ylpyrimidin-5-yl)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one.
What is the SMILES notation for 4'-(cyclopropylamino)-2'-(hydroxymethyl)-7'-(2-piperidin-1-ylpyrimidin-5-yl)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one?
The canonical SMILES for 4'-(cyclopropylamino)-2'-(hydroxymethyl)-7'-(2-piperidin-1-ylpyrimidin-5-yl)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one is O=C1N(c2cnc(N3CCCCC3)nc2)c2nc(CO)nc(NC3CC3)c2C12CCCC2.
What is the InChIKey of 4'-(cyclopropylamino)-2'-(hydroxymethyl)-7'-(2-piperidin-1-ylpyrimidin-5-yl)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one?
The InChIKey is LMDYAVQAFIRBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2/c31-14-17-27-19(26-15-6-7-15)18-20(28-17)30(21(32)23(18)8-2-3-9-23)16-12-24-22(25-13-16)29-10-4-1-5-11-29/h12-13,15,31H,1-11,14H2,(H,26,27,28).
What are the key properties of 4'-(cyclopropylamino)-2'-(hydroxymethyl)-7'-(2-piperidin-1-ylpyrimidin-5-yl)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one?
4'-(cyclopropylamino)-2'-(hydroxymethyl)-7'-(2-piperidin-1-ylpyrimidin-5-yl)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one has a molecular weight of 435.53 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(cyclopropylamino)-2'-(hydroxymethyl)-7'-(2-piperidin-1-ylpyrimidin-5-yl)spiro[cyclopentane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one is sourced from PubChem (CID 176889101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).