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

C25H30FN7O — CID 142557248

IUPAC4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2ccc3c(c2)CNCC3)cc1Nc1ccnc(C(C)(C)F)n1
InChIInChI=1S/C25H30FN7O/c1-15(2)30-23(34)19-14-29-22(31-18-6-5-16-7-9-27-13-17(16)11-18)12-20(19)32-21-8-10-28-24(33-21)25(3,4)26/h5-6,8,10-12,14-15,27H,7,9,13H2,1-4H3,(H,30,34)(H2,28,29,31,32,33)
InChIKeyBZBGESYIVKTVJS-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.35
Rot. Bonds7

About 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

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 (PubChem CID 142557248) has the molecular formula C25H30FN7O and a molecular weight of 463.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide
PubChem CID142557248
Molecular FormulaC25H30FN7O
Molecular Weight463.56 g/mol
Exact Mass463.25
IUPAC Name4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2ccc3c(c2)CNCC3)cc1Nc1ccnc(C(C)(C)F)n1
InChIInChI=1S/C25H30FN7O/c1-15(2)30-23(34)19-14-29-22(31-18-6-5-16-7-9-27-13-17(16)11-18)12-20(19)32-21-8-10-28-24(33-21)25(3,4)26/h5-6,8,10-12,14-15,27H,7,9,13H2,1-4H3,(H,30,34)(H2,28,29,31,32,33)
InChIKeyBZBGESYIVKTVJS-UHFFFAOYSA-N
XLogP4.35
TPSA103.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

4-[(2-tert-butylpyrimidin-4-yl)amino]-N-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
CID 142557245
6-(2,3-dihydro-1H-isoindol-5-ylamino)-4-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-N-propan-2-ylpyridine-3-carboxamide
CID 142557326
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-tert-butylfuran-3-yl)amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557886
N-propan-2-yl-4-[(2-propan-2-yl-4-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557319
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
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
4-(4-fluoroanilino)-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 142557766
4-[[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 155202965
4-[[2-(1-cyanocyclopropyl)-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 155709224
2-ethyl-1-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one
CID 138537987
N-cyclopropyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 138554162

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)NC(=O)c1cnc(Nc2ccc3c(c2)CNCC3)cc1Nc1ccnc(C(C)(C)F)n1.
What is the InChIKey of 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?
The InChIKey is BZBGESYIVKTVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN7O/c1-15(2)30-23(34)19-14-29-22(31-18-6-5-16-7-9-27-13-17(16)11-18)12-20(19)32-21-8-10-28-24(33-21)25(3,4)26/h5-6,8,10-12,14-15,27H,7,9,13H2,1-4H3,(H,30,34)(H2,28,29,31,32,33).
What are the key properties of 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?
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 has a molecular weight of 463.56 g/mol, XLogP of 4.35, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142557248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).