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

C25H30N6O2 — CID 142557648

IUPAC4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
SMILESCC(C)(C)c1cc(Nc2cc(Nc3ccc4c(c3)CCNC4)ncc2C(=O)NC2CC2)no1
InChIInChI=1S/C25H30N6O2/c1-25(2,3)21-12-23(31-33-21)30-20-11-22(27-14-19(20)24(32)29-17-6-7-17)28-18-5-4-16-13-26-9-8-15(16)10-18/h4-5,10-12,14,17,26H,6-9,13H2,1-3H3,(H,29,32)(H2,27,28,30,31)
InChIKeyAEZKXAUQQJPQIK-UHFFFAOYSA-N
MW446.56 g/mol
LogP4.39
Rot. Bonds6

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

4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide (PubChem CID 142557648) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
PubChem CID142557648
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
SMILESCC(C)(C)c1cc(Nc2cc(Nc3ccc4c(c3)CCNC4)ncc2C(=O)NC2CC2)no1
InChIInChI=1S/C25H30N6O2/c1-25(2,3)21-12-23(31-33-21)30-20-11-22(27-14-19(20)24(32)29-17-6-7-17)28-18-5-4-16-13-26-9-8-15(16)10-18/h4-5,10-12,14,17,26H,6-9,13H2,1-3H3,(H,29,32)(H2,27,28,30,31)
InChIKeyAEZKXAUQQJPQIK-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

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
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
4-[(2-tert-butylpyrimidin-4-yl)amino]-N-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
CID 142557245
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-(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-[(1-cyclopropylpyrrol-3-yl)amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
CID 142557915
4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide
CID 142557248
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-propan-2-yloxy-2-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 142557366
N-cyclopropyl-4-[[3-fluoro-6-(1-hydroxycyclopropyl)-2-pyridinyl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 163261271
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

Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide?
The IUPAC name of 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) is 4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide is CC(C)(C)c1cc(Nc2cc(Nc3ccc4c(c3)CCNC4)ncc2C(=O)NC2CC2)no1.
What is the InChIKey of 4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide?
The InChIKey is AEZKXAUQQJPQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-25(2,3)21-12-23(31-33-21)30-20-11-22(27-14-19(20)24(32)29-17-6-7-17)28-18-5-4-16-13-26-9-8-15(16)10-18/h4-5,10-12,14,17,26H,6-9,13H2,1-3H3,(H,29,32)(H2,27,28,30,31).
What are the key properties of 4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide?
4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-6-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 4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 142557648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).