N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide

C22H21FN6O2 — CID 138635786

IUPACN-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCc1cnn(-c2cccc(F)c2)c1
InChIInChI=1S/C22H21FN6O2/c1-13-17(18-19(28-22(2)6-7-22)25-12-26-21(18)31-13)20(30)24-9-14-10-27-29(11-14)16-5-3-4-15(23)8-16/h3-5,8,10-12H,6-7,9H2,1-2H3,(H,24,30)(H,25,26,28)
InChIKeyXXBYSVVEYGHHTP-UHFFFAOYSA-N
MW420.45 g/mol
LogP3.75
Rot. Bonds6

About N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide

N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 138635786) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID138635786
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC NameN-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCc1cnn(-c2cccc(F)c2)c1
InChIInChI=1S/C22H21FN6O2/c1-13-17(18-19(28-22(2)6-7-22)25-12-26-21(18)31-13)20(30)24-9-14-10-27-29(11-14)16-5-3-4-15(23)8-16/h3-5,8,10-12H,6-7,9H2,1-2H3,(H,24,30)(H,25,26,28)
InChIKeyXXBYSVVEYGHHTP-UHFFFAOYSA-N
XLogP3.75
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (CID 138635786) is N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCc1cnn(-c2cccc(F)c2)c1.
What is the InChIKey of N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is XXBYSVVEYGHHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-13-17(18-19(28-22(2)6-7-22)25-12-26-21(18)31-13)20(30)24-9-14-10-27-29(11-14)16-5-3-4-15(23)8-16/h3-5,8,10-12H,6-7,9H2,1-2H3,(H,24,30)(H,25,26,28).
What are the key properties of N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 138635786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).