N-(2-hydroxyethyl)-1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide

C25H27N5O3 — CID 118659956

IUPACN-(2-hydroxyethyl)-1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCC(O)c1ccnc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)c1
InChIInChI=1S/C25H27N5O3/c1-16(32)17-5-8-26-21(11-17)19-13-27-24(28-14-19)30-15-25(6-7-25)20-4-3-18(12-22(20)30)23(33)29(2)9-10-31/h3-5,8,11-14,16,31-32H,6-7,9-10,15H2,1-2H3
InChIKeyYVWFPTYBCBAQJI-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.84
Rot. Bonds6

About N-(2-hydroxyethyl)-1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide

N-(2-hydroxyethyl)-1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (PubChem CID 118659956) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
PubChem CID118659956
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-(2-hydroxyethyl)-1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCC(O)c1ccnc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)c1
InChIInChI=1S/C25H27N5O3/c1-16(32)17-5-8-26-21(11-17)19-13-27-24(28-14-19)30-15-25(6-7-25)20-4-3-18(12-22(20)30)23(33)29(2)9-10-31/h3-5,8,11-14,16,31-32H,6-7,9-10,15H2,1-2H3
InChIKeyYVWFPTYBCBAQJI-UHFFFAOYSA-N
XLogP2.84
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-hydroxyethyl)-1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (CID 118659956) is N-(2-hydroxyethyl)-1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is CC(O)c1ccnc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The InChIKey is YVWFPTYBCBAQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-16(32)17-5-8-26-21(11-17)19-13-27-24(28-14-19)30-15-25(6-7-25)20-4-3-18(12-22(20)30)23(33)29(2)9-10-31/h3-5,8,11-14,16,31-32H,6-7,9-10,15H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
N-(2-hydroxyethyl)-1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-[5-[4-(1-hydroxyethyl)-2-pyridinyl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is sourced from PubChem (CID 118659956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).