1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-6-fluoroindazole-4-carboxamide

C22H19FN6O2 — CID 118240673

IUPAC1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-6-fluoroindazole-4-carboxamide
SMILESNC(=O)c1cc(F)cc2c1cnn2-c1nc2c(c(NCc3ccccc3)n1)COCC2
InChIInChI=1S/C22H19FN6O2/c23-14-8-15(20(24)30)16-11-26-29(19(16)9-14)22-27-18-6-7-31-12-17(18)21(28-22)25-10-13-4-2-1-3-5-13/h1-5,8-9,11H,6-7,10,12H2,(H2,24,30)(H,25,27,28)
InChIKeyFHPZVFHBYTZNRQ-UHFFFAOYSA-N
MW418.43 g/mol
LogP2.74
Rot. Bonds5

About 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-6-fluoroindazole-4-carboxamide

1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-6-fluoroindazole-4-carboxamide (PubChem CID 118240673) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-6-fluoroindazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-6-fluoroindazole-4-carboxamide
PubChem CID118240673
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC Name1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-6-fluoroindazole-4-carboxamide
SMILESNC(=O)c1cc(F)cc2c1cnn2-c1nc2c(c(NCc3ccccc3)n1)COCC2
InChIInChI=1S/C22H19FN6O2/c23-14-8-15(20(24)30)16-11-26-29(19(16)9-14)22-27-18-6-7-31-12-17(18)21(28-22)25-10-13-4-2-1-3-5-13/h1-5,8-9,11H,6-7,10,12H2,(H2,24,30)(H,25,27,28)
InChIKeyFHPZVFHBYTZNRQ-UHFFFAOYSA-N
XLogP2.74
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(benzylamino)-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-6-fluoroindazole-4-carboxamide
CID 122685178
1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide
CID 118240054
1-[4-(thiophen-2-ylmethylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]indazole-4-carboxamide
CID 122685163
6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidin-2-yl]indazole-4-carboxamide
CID 118240334
1-[4-(benzylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]indazole-4-carboxamide
CID 118240020
1-[4-[(3-fluorophenyl)methylamino]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]indazole-4-carboxylic acid
CID 118239963
1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]indazole-4-carboxamide
CID 122685385
1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]indazole-4-carboxamide
CID 122685405
1-[4-(benzylamino)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]-6-fluoro-2-methoxybenzimidazole-4-carboxamide
CID 122685176
1-[4-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]indazole-4-carboxamide
CID 118239636
1-[4-(benzylamino)-5-ethylpyrimidin-2-yl]-6-fluoro-2-methylindole-4-carboxamide
CID 118141378
1-[4-(benzylamino)-5-methoxy-6-methylpyrimidin-2-yl]indazole-4-carboxamide
CID 118141161

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-6-fluoroindazole-4-carboxamide?
The IUPAC name of 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-6-fluoroindazole-4-carboxamide (CID 118240673) is 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-6-fluoroindazole-4-carboxamide.
What is the SMILES notation for 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-6-fluoroindazole-4-carboxamide?
The canonical SMILES for 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-6-fluoroindazole-4-carboxamide is NC(=O)c1cc(F)cc2c1cnn2-c1nc2c(c(NCc3ccccc3)n1)COCC2.
What is the InChIKey of 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-6-fluoroindazole-4-carboxamide?
The InChIKey is FHPZVFHBYTZNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c23-14-8-15(20(24)30)16-11-26-29(19(16)9-14)22-27-18-6-7-31-12-17(18)21(28-22)25-10-13-4-2-1-3-5-13/h1-5,8-9,11H,6-7,10,12H2,(H2,24,30)(H,25,27,28).
What are the key properties of 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-6-fluoroindazole-4-carboxamide?
1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-6-fluoroindazole-4-carboxamide has a molecular weight of 418.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-6-fluoroindazole-4-carboxamide is sourced from PubChem (CID 118240673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).