4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(oxolan-3-ylmethylamino)pyridine-2-carboxamide

C20H27N5O2 — CID 144999693

IUPAC4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(oxolan-3-ylmethylamino)pyridine-2-carboxamide
SMILESCC1(C)CCc2c(-c3cc(NCC4CCOC4)nc(C(N)=O)c3)n[nH]c2C1
InChIInChI=1S/C20H27N5O2/c1-20(2)5-3-14-16(9-20)24-25-18(14)13-7-15(19(21)26)23-17(8-13)22-10-12-4-6-27-11-12/h7-8,12H,3-6,9-11H2,1-2H3,(H2,21,26)(H,22,23)(H,24,25)
InChIKeyFUAVAGZJMXDLJB-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.53
Rot. Bonds5

About 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(oxolan-3-ylmethylamino)pyridine-2-carboxamide

4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(oxolan-3-ylmethylamino)pyridine-2-carboxamide (PubChem CID 144999693) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(oxolan-3-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(oxolan-3-ylmethylamino)pyridine-2-carboxamide
PubChem CID144999693
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(oxolan-3-ylmethylamino)pyridine-2-carboxamide
SMILESCC1(C)CCc2c(-c3cc(NCC4CCOC4)nc(C(N)=O)c3)n[nH]c2C1
InChIInChI=1S/C20H27N5O2/c1-20(2)5-3-14-16(9-20)24-25-18(14)13-7-15(19(21)26)23-17(8-13)22-10-12-4-6-27-11-12/h7-8,12H,3-6,9-11H2,1-2H3,(H2,21,26)(H,22,23)(H,24,25)
InChIKeyFUAVAGZJMXDLJB-UHFFFAOYSA-N
XLogP2.53
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.53
H-Bond Donors ≤ 53
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-(oxolan-3-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(oxolan-3-ylmethylamino)pyridine-2-carboxamide (CID 144999693) is 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(oxolan-3-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(oxolan-3-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(oxolan-3-ylmethylamino)pyridine-2-carboxamide is CC1(C)CCc2c(-c3cc(NCC4CCOC4)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-(oxolan-3-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is FUAVAGZJMXDLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-20(2)5-3-14-16(9-20)24-25-18(14)13-7-15(19(21)26)23-17(8-13)22-10-12-4-6-27-11-12/h7-8,12H,3-6,9-11H2,1-2H3,(H2,21,26)(H,22,23)(H,24,25).
What are the key properties of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(oxolan-3-ylmethylamino)pyridine-2-carboxamide?
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(oxolan-3-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 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-(oxolan-3-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 144999693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).