N-[4-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]sulfanyl]phenyl]cyclopropanecarboxamide

C20H20N6O2S — CID 24812108

IUPACN-[4-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]sulfanyl]phenyl]cyclopropanecarboxamide
SMILESCc1cc(Nc2nc3c(c(Sc4ccc(NC(=O)C5CC5)cc4)n2)COC3)n[nH]1
InChIInChI=1S/C20H20N6O2S/c1-11-8-17(26-25-11)23-20-22-16-10-28-9-15(16)19(24-20)29-14-6-4-13(5-7-14)21-18(27)12-2-3-12/h4-8,12H,2-3,9-10H2,1H3,(H,21,27)(H2,22,23,24,25,26)
InChIKeyNLABJPXBVDAJEX-UHFFFAOYSA-N
MW408.49 g/mol
LogP3.78
Rot. Bonds6

About N-[4-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]sulfanyl]phenyl]cyclopropanecarboxamide

N-[4-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]sulfanyl]phenyl]cyclopropanecarboxamide (PubChem CID 24812108) has the molecular formula C20H20N6O2S and a molecular weight of 408.49 g/mol. Its IUPAC name is N-[4-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]sulfanyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]sulfanyl]phenyl]cyclopropanecarboxamide
PubChem CID24812108
Molecular FormulaC20H20N6O2S
Molecular Weight408.49 g/mol
Exact Mass408.14
IUPAC NameN-[4-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]sulfanyl]phenyl]cyclopropanecarboxamide
SMILESCc1cc(Nc2nc3c(c(Sc4ccc(NC(=O)C5CC5)cc4)n2)COC3)n[nH]1
InChIInChI=1S/C20H20N6O2S/c1-11-8-17(26-25-11)23-20-22-16-10-28-9-15(16)19(24-20)29-14-6-4-13(5-7-14)21-18(27)12-2-3-12/h4-8,12H,2-3,9-10H2,1H3,(H,21,27)(H2,22,23,24,25,26)
InChIKeyNLABJPXBVDAJEX-UHFFFAOYSA-N
XLogP3.78
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]sulfanyl]phenyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 24747174
N-[4-[4,5-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 134363249
5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxamide
CID 11690693
methane;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 161231504
N-[4-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide
CID 70820827
N-[4-[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperidin-1-ylpyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 122625482
5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-phenylpyrimidine-4-carboxamide
CID 11511681
N-[4-[[3-ethyl-6-(4-ethylpiperazin-1-yl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]phenyl]cyclopropanecarboxamide
CID 123309168
7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidine-2-carboxamide
CID 59299233
5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide
CID 11555130
N-[4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]phenyl]cyclopentanecarboxamide
CID 122635293
N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 10050769

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]sulfanyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]sulfanyl]phenyl]cyclopropanecarboxamide (CID 24812108) is N-[4-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]sulfanyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]sulfanyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]sulfanyl]phenyl]cyclopropanecarboxamide is Cc1cc(Nc2nc3c(c(Sc4ccc(NC(=O)C5CC5)cc4)n2)COC3)n[nH]1.
What is the InChIKey of N-[4-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]sulfanyl]phenyl]cyclopropanecarboxamide?
The InChIKey is NLABJPXBVDAJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S/c1-11-8-17(26-25-11)23-20-22-16-10-28-9-15(16)19(24-20)29-14-6-4-13(5-7-14)21-18(27)12-2-3-12/h4-8,12H,2-3,9-10H2,1H3,(H,21,27)(H2,22,23,24,25,26).
What are the key properties of N-[4-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]sulfanyl]phenyl]cyclopropanecarboxamide?
N-[4-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]sulfanyl]phenyl]cyclopropanecarboxamide has a molecular weight of 408.49 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]sulfanyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 24812108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).