2-[2-[2-(6-dimethylphosphorylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]-4-pyridinyl]propan-2-ol

C24H27N4O2P — CID 129309332

IUPAC2-[2-[2-(6-dimethylphosphorylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]-4-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccnc(-c2cnc(N3CC4(CC4)c4ccc(P(C)(C)=O)cc43)nc2)c1
InChIInChI=1S/C24H27N4O2P/c1-23(2,29)17-7-10-25-20(11-17)16-13-26-22(27-14-16)28-15-24(8-9-24)19-6-5-18(12-21(19)28)31(3,4)30/h5-7,10-14,29H,8-9,15H2,1-4H3
InChIKeySPZJFQKOPOOXQV-UHFFFAOYSA-N
MW434.48 g/mol
LogP4.20
Rot. Bonds4

About 2-[2-[2-(6-dimethylphosphorylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]-4-pyridinyl]propan-2-ol

2-[2-[2-(6-dimethylphosphorylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]-4-pyridinyl]propan-2-ol (PubChem CID 129309332) has the molecular formula C24H27N4O2P and a molecular weight of 434.48 g/mol. Its IUPAC name is 2-[2-[2-(6-dimethylphosphorylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]-4-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[2-(6-dimethylphosphorylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]-4-pyridinyl]propan-2-ol
PubChem CID129309332
Molecular FormulaC24H27N4O2P
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name2-[2-[2-(6-dimethylphosphorylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]-4-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccnc(-c2cnc(N3CC4(CC4)c4ccc(P(C)(C)=O)cc43)nc2)c1
InChIInChI=1S/C24H27N4O2P/c1-23(2,29)17-7-10-25-20(11-17)16-13-26-22(27-14-16)28-15-24(8-9-24)19-6-5-18(12-21(19)28)31(3,4)30/h5-7,10-14,29H,8-9,15H2,1-4H3
InChIKeySPZJFQKOPOOXQV-UHFFFAOYSA-N
XLogP4.20
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(6-dimethylphosphorylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]-4-pyridinyl]propan-2-ol?
The IUPAC name of 2-[2-[2-(6-dimethylphosphorylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]-4-pyridinyl]propan-2-ol (CID 129309332) is 2-[2-[2-(6-dimethylphosphorylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]-4-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[2-[2-(6-dimethylphosphorylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]-4-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[2-[2-(6-dimethylphosphorylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]-4-pyridinyl]propan-2-ol is CC(C)(O)c1ccnc(-c2cnc(N3CC4(CC4)c4ccc(P(C)(C)=O)cc43)nc2)c1.
What is the InChIKey of 2-[2-[2-(6-dimethylphosphorylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]-4-pyridinyl]propan-2-ol?
The InChIKey is SPZJFQKOPOOXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N4O2P/c1-23(2,29)17-7-10-25-20(11-17)16-13-26-22(27-14-16)28-15-24(8-9-24)19-6-5-18(12-21(19)28)31(3,4)30/h5-7,10-14,29H,8-9,15H2,1-4H3.
What are the key properties of 2-[2-[2-(6-dimethylphosphorylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]-4-pyridinyl]propan-2-ol?
2-[2-[2-(6-dimethylphosphorylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]-4-pyridinyl]propan-2-ol has a molecular weight of 434.48 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(6-dimethylphosphorylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]-4-pyridinyl]propan-2-ol is sourced from PubChem (CID 129309332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).