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

C22H20N6O2 — CID 118240054

IUPAC1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide
SMILESNC(=O)c1cccc2c1cnn2-c1nc2c(c(NCc3ccccc3)n1)CCOC2
InChIInChI=1S/C22H20N6O2/c23-20(29)15-7-4-8-19-17(15)12-25-28(19)22-26-18-13-30-10-9-16(18)21(27-22)24-11-14-5-2-1-3-6-14/h1-8,12H,9-11,13H2,(H2,23,29)(H,24,26,27)
InChIKeyWDWPBGFGYPSSQQ-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.60
Rot. Bonds5

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

1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide (PubChem CID 118240054) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide
PubChem CID118240054
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide
SMILESNC(=O)c1cccc2c1cnn2-c1nc2c(c(NCc3ccccc3)n1)CCOC2
InChIInChI=1S/C22H20N6O2/c23-20(29)15-7-4-8-19-17(15)12-25-28(19)22-26-18-13-30-10-9-16(18)21(27-22)24-11-14-5-2-1-3-6-14/h1-8,12H,9-11,13H2,(H2,23,29)(H,24,26,27)
InChIKeyWDWPBGFGYPSSQQ-UHFFFAOYSA-N
XLogP2.60
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]indazole-4-carboxamide
CID 122685405
1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-6-fluoroindazole-4-carboxamide
CID 118240673
1-[4-(thiophen-2-ylmethylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]indazole-4-carboxamide
CID 122685163
1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]indazole-4-carboxamide
CID 122685385
1-[4-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]indazole-4-carboxamide
CID 118239636
1-[4-(benzylamino)-5-methoxy-6-methylpyrimidin-2-yl]indazole-4-carboxamide
CID 118141161
3-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]-1,2-benzoxazole-7-carboxamide
CID 122685568
1-[4-(thiophen-2-ylmethylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]indazole-4-carboxamide
CID 122685432
3-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
CID 118240345
1-[6-methyl-4-(thiophen-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide
CID 122685300

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide?
The IUPAC name of 1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide (CID 118240054) is 1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide.
What is the SMILES notation for 1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide?
The canonical SMILES for 1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide is NC(=O)c1cccc2c1cnn2-c1nc2c(c(NCc3ccccc3)n1)CCOC2.
What is the InChIKey of 1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide?
The InChIKey is WDWPBGFGYPSSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c23-20(29)15-7-4-8-19-17(15)12-25-28(19)22-26-18-13-30-10-9-16(18)21(27-22)24-11-14-5-2-1-3-6-14/h1-8,12H,9-11,13H2,(H2,23,29)(H,24,26,27).
What are the key properties of 1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide?
1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide is sourced from PubChem (CID 118240054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).