4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-[(5-oxopyrrolidin-2-yl)methylamino]pyridine-2-carboxamide

C20H26N6O2 — CID 145000530

IUPAC4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-[(5-oxopyrrolidin-2-yl)methylamino]pyridine-2-carboxamide
SMILESCC1(C)CCc2c(-c3cc(NCC4CCC(=O)N4)nc(C(N)=O)c3)n[nH]c2C1
InChIInChI=1S/C20H26N6O2/c1-20(2)6-5-13-15(9-20)25-26-18(13)11-7-14(19(21)28)24-16(8-11)22-10-12-3-4-17(27)23-12/h7-8,12H,3-6,9-10H2,1-2H3,(H2,21,28)(H,22,24)(H,23,27)(H,25,26)
InChIKeyBXPGYINSZGLWAX-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.78
Rot. Bonds5

About 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-[(5-oxopyrrolidin-2-yl)methylamino]pyridine-2-carboxamide

4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-[(5-oxopyrrolidin-2-yl)methylamino]pyridine-2-carboxamide (PubChem CID 145000530) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-[(5-oxopyrrolidin-2-yl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-[(5-oxopyrrolidin-2-yl)methylamino]pyridine-2-carboxamide
PubChem CID145000530
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-[(5-oxopyrrolidin-2-yl)methylamino]pyridine-2-carboxamide
SMILESCC1(C)CCc2c(-c3cc(NCC4CCC(=O)N4)nc(C(N)=O)c3)n[nH]c2C1
InChIInChI=1S/C20H26N6O2/c1-20(2)6-5-13-15(9-20)25-26-18(13)11-7-14(19(21)28)24-16(8-11)22-10-12-3-4-17(27)23-12/h7-8,12H,3-6,9-10H2,1-2H3,(H2,21,28)(H,22,24)(H,23,27)(H,25,26)
InChIKeyBXPGYINSZGLWAX-UHFFFAOYSA-N
XLogP1.78
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-[(5-oxopyrrolidin-2-yl)methylamino]pyridine-2-carboxamide?
The IUPAC name of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-[(5-oxopyrrolidin-2-yl)methylamino]pyridine-2-carboxamide (CID 145000530) is 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-[(5-oxopyrrolidin-2-yl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-[(5-oxopyrrolidin-2-yl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-[(5-oxopyrrolidin-2-yl)methylamino]pyridine-2-carboxamide is CC1(C)CCc2c(-c3cc(NCC4CCC(=O)N4)nc(C(N)=O)c3)n[nH]c2C1.
What is the InChIKey of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-[(5-oxopyrrolidin-2-yl)methylamino]pyridine-2-carboxamide?
The InChIKey is BXPGYINSZGLWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-20(2)6-5-13-15(9-20)25-26-18(13)11-7-14(19(21)28)24-16(8-11)22-10-12-3-4-17(27)23-12/h7-8,12H,3-6,9-10H2,1-2H3,(H2,21,28)(H,22,24)(H,23,27)(H,25,26).
What are the key properties of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-[(5-oxopyrrolidin-2-yl)methylamino]pyridine-2-carboxamide?
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-[(5-oxopyrrolidin-2-yl)methylamino]pyridine-2-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.78, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-[(5-oxopyrrolidin-2-yl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 145000530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).