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

C23H24N4O3S — CID 118659889

IUPACN-(2-hydroxyethyl)-1-[5-[4-(hydroxymethyl)thiophen-2-yl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCN(CCO)C(=O)c1ccc2c(c1)N(c1ncc(-c3cc(CO)cs3)cn1)CC21CC1
InChIInChI=1S/C23H24N4O3S/c1-26(6-7-28)21(30)16-2-3-18-19(9-16)27(14-23(18)4-5-23)22-24-10-17(11-25-22)20-8-15(12-29)13-31-20/h2-3,8-11,13,28-29H,4-7,12,14H2,1H3
InChIKeyLSWGIULNCQSSAO-UHFFFAOYSA-N
MW436.54 g/mol
LogP2.94
Rot. Bonds6

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

N-(2-hydroxyethyl)-1-[5-[4-(hydroxymethyl)thiophen-2-yl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (PubChem CID 118659889) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-[5-[4-(hydroxymethyl)thiophen-2-yl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-[5-[4-(hydroxymethyl)thiophen-2-yl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
PubChem CID118659889
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-(2-hydroxyethyl)-1-[5-[4-(hydroxymethyl)thiophen-2-yl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCN(CCO)C(=O)c1ccc2c(c1)N(c1ncc(-c3cc(CO)cs3)cn1)CC21CC1
InChIInChI=1S/C23H24N4O3S/c1-26(6-7-28)21(30)16-2-3-18-19(9-16)27(14-23(18)4-5-23)22-24-10-17(11-25-22)20-8-15(12-29)13-31-20/h2-3,8-11,13,28-29H,4-7,12,14H2,1H3
InChIKeyLSWGIULNCQSSAO-UHFFFAOYSA-N
XLogP2.94
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-[5-[4-(hydroxymethyl)thiophen-2-yl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-[5-[4-(hydroxymethyl)thiophen-2-yl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (CID 118659889) is N-(2-hydroxyethyl)-1-[5-[4-(hydroxymethyl)thiophen-2-yl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-[5-[4-(hydroxymethyl)thiophen-2-yl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-[5-[4-(hydroxymethyl)thiophen-2-yl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is CN(CCO)C(=O)c1ccc2c(c1)N(c1ncc(-c3cc(CO)cs3)cn1)CC21CC1.
What is the InChIKey of N-(2-hydroxyethyl)-1-[5-[4-(hydroxymethyl)thiophen-2-yl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The InChIKey is LSWGIULNCQSSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-26(6-7-28)21(30)16-2-3-18-19(9-16)27(14-23(18)4-5-23)22-24-10-17(11-25-22)20-8-15(12-29)13-31-20/h2-3,8-11,13,28-29H,4-7,12,14H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-1-[5-[4-(hydroxymethyl)thiophen-2-yl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
N-(2-hydroxyethyl)-1-[5-[4-(hydroxymethyl)thiophen-2-yl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 2.94, 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-(hydroxymethyl)thiophen-2-yl]pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is sourced from PubChem (CID 118659889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).