2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide

C25H30N6O2 — CID 142557202

IUPAC2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide
SMILESCC(C)(C)c1cc(Nc2nc(Nc3ccc4c(c3)CNCC4)ccc2C(=O)NC2CC2)no1
InChIInChI=1S/C25H30N6O2/c1-25(2,3)20-13-22(31-33-20)30-23-19(24(32)28-17-6-7-17)8-9-21(29-23)27-18-5-4-15-10-11-26-14-16(15)12-18/h4-5,8-9,12-13,17,26H,6-7,10-11,14H2,1-3H3,(H,28,32)(H2,27,29,30,31)
InChIKeyGJNIZVLHIWADGH-UHFFFAOYSA-N
MW446.56 g/mol
LogP4.39
Rot. Bonds6

About 2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide

2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide (PubChem CID 142557202) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide
PubChem CID142557202
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide
SMILESCC(C)(C)c1cc(Nc2nc(Nc3ccc4c(c3)CNCC4)ccc2C(=O)NC2CC2)no1
InChIInChI=1S/C25H30N6O2/c1-25(2,3)20-13-22(31-33-20)30-23-19(24(32)28-17-6-7-17)8-9-21(29-23)27-18-5-4-15-10-11-26-14-16(15)12-18/h4-5,8-9,12-13,17,26H,6-7,10-11,14H2,1-3H3,(H,28,32)(H2,27,29,30,31)
InChIKeyGJNIZVLHIWADGH-UHFFFAOYSA-N
XLogP4.39
TPSA104.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 54.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
CID 142557648
N-cyclopropyl-4-[[6-(1-hydroxy-2-methylpropan-2-yl)-2-pyridinyl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557605
N-cyclopropyl-4-[(6-fluoro-2-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557240
N-cyclopropyl-4-[[6-(oxetan-3-yl)-2-pyridinyl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 155709504
N-cyclopropyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 138554162
4-[(6-tert-butyl-5-cyano-2-pyridinyl)amino]-N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 155709284
4-[(2-tert-butyl-4-pyridinyl)amino]-N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 138554164
N-cyclopropyl-4-[(6-propan-2-yloxy-2-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 142557366
4-[[2-(2-cyanopropan-2-yl)-4-pyridinyl]amino]-N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 155709498
N-cyclopropyl-4-[[6-(1-hydroxy-2-methylpropan-2-yl)-2-pyridinyl]amino]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
CID 138554143
N-cyclopropyl-4-[[2-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-pyridinyl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 142557419
N-cyclopropyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide
CID 138553940

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide?
The IUPAC name of 2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide (CID 142557202) is 2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide is CC(C)(C)c1cc(Nc2nc(Nc3ccc4c(c3)CNCC4)ccc2C(=O)NC2CC2)no1.
What is the InChIKey of 2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide?
The InChIKey is GJNIZVLHIWADGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-25(2,3)20-13-22(31-33-20)30-23-19(24(32)28-17-6-7-17)8-9-21(29-23)27-18-5-4-15-10-11-26-14-16(15)12-18/h4-5,8-9,12-13,17,26H,6-7,10-11,14H2,1-3H3,(H,28,32)(H2,27,29,30,31).
What are the key properties of 2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide?
2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 4.39, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 142557202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).