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

C24H25N5O3 — CID 118659819

IUPACN-(2-hydroxyethyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCOc1ccnc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)c1
InChIInChI=1S/C24H25N5O3/c1-28(9-10-30)22(31)16-3-4-19-21(11-16)29(15-24(19)6-7-24)23-26-13-17(14-27-23)20-12-18(32-2)5-8-25-20/h3-5,8,11-14,30H,6-7,9-10,15H2,1-2H3
InChIKeyCOTIDWGJQNDASO-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.79
Rot. Bonds6

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

N-(2-hydroxyethyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (PubChem CID 118659819) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
PubChem CID118659819
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC NameN-(2-hydroxyethyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCOc1ccnc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)c1
InChIInChI=1S/C24H25N5O3/c1-28(9-10-30)22(31)16-3-4-19-21(11-16)29(15-24(19)6-7-24)23-26-13-17(14-27-23)20-12-18(32-2)5-8-25-20/h3-5,8,11-14,30H,6-7,9-10,15H2,1-2H3
InChIKeyCOTIDWGJQNDASO-UHFFFAOYSA-N
XLogP2.79
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (CID 118659819) is N-(2-hydroxyethyl)-1-[5-(4-methoxy-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-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is COc1ccnc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The InChIKey is COTIDWGJQNDASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-28(9-10-30)22(31)16-3-4-19-21(11-16)29(15-24(19)6-7-24)23-26-13-17(14-27-23)20-12-18(32-2)5-8-25-20/h3-5,8,11-14,30H,6-7,9-10,15H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
N-(2-hydroxyethyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-[5-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is sourced from PubChem (CID 118659819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).