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

C27H29N5O3 — CID 118659811

IUPAC1-[5-(4-cyclopropyl-6-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCOc1cc(C2CC2)cc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)n1
InChIInChI=1S/C27H29N5O3/c1-31(9-10-33)25(34)18-5-6-21-23(12-18)32(16-27(21)7-8-27)26-28-14-20(15-29-26)22-11-19(17-3-4-17)13-24(30-22)35-2/h5-6,11-15,17,33H,3-4,7-10,16H2,1-2H3
InChIKeyBLBOIVLWASBLHZ-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.67
Rot. Bonds7

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

1-[5-(4-cyclopropyl-6-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (PubChem CID 118659811) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 1-[5-(4-cyclopropyl-6-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.

Molecular Properties

Compound Name1-[5-(4-cyclopropyl-6-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
PubChem CID118659811
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name1-[5-(4-cyclopropyl-6-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCOc1cc(C2CC2)cc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)n1
InChIInChI=1S/C27H29N5O3/c1-31(9-10-33)25(34)18-5-6-21-23(12-18)32(16-27(21)7-8-27)26-28-14-20(15-29-26)22-11-19(17-3-4-17)13-24(30-22)35-2/h5-6,11-15,17,33H,3-4,7-10,16H2,1-2H3
InChIKeyBLBOIVLWASBLHZ-UHFFFAOYSA-N
XLogP3.67
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-cyclopropyl-6-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The IUPAC name of 1-[5-(4-cyclopropyl-6-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (CID 118659811) is 1-[5-(4-cyclopropyl-6-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.
What is the SMILES notation for 1-[5-(4-cyclopropyl-6-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The canonical SMILES for 1-[5-(4-cyclopropyl-6-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is COc1cc(C2CC2)cc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)n1.
What is the InChIKey of 1-[5-(4-cyclopropyl-6-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The InChIKey is BLBOIVLWASBLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-31(9-10-33)25(34)18-5-6-21-23(12-18)32(16-27(21)7-8-27)26-28-14-20(15-29-26)22-11-19(17-3-4-17)13-24(30-22)35-2/h5-6,11-15,17,33H,3-4,7-10,16H2,1-2H3.
What are the key properties of 1-[5-(4-cyclopropyl-6-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
1-[5-(4-cyclopropyl-6-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-cyclopropyl-6-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is sourced from PubChem (CID 118659811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).