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

C24H26FN7O2 — CID 155709237

IUPACN-cyclopropyl-4-[[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(Nc2ccc3c(c2)CCNC3)nc1Nc1nc(C2(CF)CC2)co1
InChIInChI=1S/C24H26FN7O2/c25-13-24(6-7-24)19-12-34-23(30-19)32-20-18(21(33)28-16-3-4-16)11-27-22(31-20)29-17-2-1-15-10-26-8-5-14(15)9-17/h1-2,9,11-12,16,26H,3-8,10,13H2,(H,28,33)(H2,27,29,30,31,32)
InChIKeyIRLUWOFYYOKRAF-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.49
Rot. Bonds8

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

N-cyclopropyl-4-[[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide (PubChem CID 155709237) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is N-cyclopropyl-4-[[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
PubChem CID155709237
Molecular FormulaC24H26FN7O2
Molecular Weight463.52 g/mol
Exact Mass463.21
IUPAC NameN-cyclopropyl-4-[[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(Nc2ccc3c(c2)CCNC3)nc1Nc1nc(C2(CF)CC2)co1
InChIInChI=1S/C24H26FN7O2/c25-13-24(6-7-24)19-12-34-23(30-19)32-20-18(21(33)28-16-3-4-16)11-27-22(31-20)29-17-2-1-15-10-26-8-5-14(15)9-17/h1-2,9,11-12,16,26H,3-8,10,13H2,(H,28,33)(H2,27,29,30,31,32)
InChIKeyIRLUWOFYYOKRAF-UHFFFAOYSA-N
XLogP3.49
TPSA117.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-cyclopropyl-4-[[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-4-[[3-fluoro-6-(1-hydroxycyclopropyl)-2-pyridinyl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 163261271
4-[(2-tert-butyl-4-pyridinyl)amino]-N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 138554164
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
N-cyclopropyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 138554162
N-cyclopropyl-4-[(6-fluoro-2-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557240
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
4-(cyclopropylamino)-N-(2-hydroxyethyl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 156831641
N-cyclopropyl-4-[[6-(oxetan-3-yl)-2-pyridinyl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 155709504
4-[(6-tert-butyl-5-cyano-2-pyridinyl)amino]-N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 155709284
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
4-[[2-(2-cyanopropan-2-yl)-4-pyridinyl]amino]-N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 155709498

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-cyclopropyl-4-[[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide (CID 155709237) is N-cyclopropyl-4-[[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide is O=C(NC1CC1)c1cnc(Nc2ccc3c(c2)CCNC3)nc1Nc1nc(C2(CF)CC2)co1.
What is the InChIKey of N-cyclopropyl-4-[[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide?
The InChIKey is IRLUWOFYYOKRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2/c25-13-24(6-7-24)19-12-34-23(30-19)32-20-18(21(33)28-16-3-4-16)11-27-22(31-20)29-17-2-1-15-10-26-8-5-14(15)9-17/h1-2,9,11-12,16,26H,3-8,10,13H2,(H,28,33)(H2,27,29,30,31,32).
What are the key properties of N-cyclopropyl-4-[[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide?
N-cyclopropyl-4-[[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide has a molecular weight of 463.52 g/mol, XLogP of 3.49, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[4-[1-(fluoromethyl)cyclopropyl]-1,3-oxazol-2-yl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 155709237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).