1-[6-methyl-4-(thiophen-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide

C20H19N7OS — CID 122685300

IUPAC1-[6-methyl-4-(thiophen-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide
SMILESCN1Cc2nc(-n3ncc4c(C(N)=O)cccc43)nc(NCc3cccs3)c2C1
InChIInChI=1S/C20H19N7OS/c1-26-10-15-16(11-26)24-20(25-19(15)22-8-12-4-3-7-29-12)27-17-6-2-5-13(18(21)28)14(17)9-23-27/h2-7,9H,8,10-11H2,1H3,(H2,21,28)(H,22,24,25)
InChIKeyCFINHHDEBKZDFP-UHFFFAOYSA-N
MW405.49 g/mol
LogP2.53
Rot. Bonds5

About 1-[6-methyl-4-(thiophen-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide

1-[6-methyl-4-(thiophen-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide (PubChem CID 122685300) has the molecular formula C20H19N7OS and a molecular weight of 405.49 g/mol. Its IUPAC name is 1-[6-methyl-4-(thiophen-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-[6-methyl-4-(thiophen-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide
PubChem CID122685300
Molecular FormulaC20H19N7OS
Molecular Weight405.49 g/mol
Exact Mass405.14
IUPAC Name1-[6-methyl-4-(thiophen-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide
SMILESCN1Cc2nc(-n3ncc4c(C(N)=O)cccc43)nc(NCc3cccs3)c2C1
InChIInChI=1S/C20H19N7OS/c1-26-10-15-16(11-26)24-20(25-19(15)22-8-12-4-3-7-29-12)27-17-6-2-5-13(18(21)28)14(17)9-23-27/h2-7,9H,8,10-11H2,1H3,(H2,21,28)(H,22,24,25)
InChIKeyCFINHHDEBKZDFP-UHFFFAOYSA-N
XLogP2.53
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[6-methyl-4-(thiophen-2-ylmethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]indazole-4-carboxamide
CID 122685597
1-[4-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]indazole-4-carboxamide
CID 118239636
1-[4-(thiophen-2-ylmethylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]indazole-4-carboxamide
CID 122685163
1-[4-(thiophen-2-ylmethylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]indazole-4-carboxamide
CID 122685432
1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide
CID 118240054
1-[4-(benzylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]indazole-4-carboxamide
CID 118240020
1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]indazole-4-carboxamide
CID 122685385
1-[4-(benzylamino)-5-methoxy-6-methylpyrimidin-2-yl]indazole-4-carboxamide
CID 118141161
3-[6-methyl-4-(thiophen-2-ylmethylamino)-5,7,8,9-tetrahydropyrimido[5,4-c]azepin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
CID 118239717
1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]indazole-4-carboxamide
CID 122685405
2-methyl-3-[7-methyl-4-(thiophen-2-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide
CID 118240542
1-[4-(benzylamino)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]-2-benzofuran-4-carboxamide
CID 122685492

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-4-(thiophen-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide?
The IUPAC name of 1-[6-methyl-4-(thiophen-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide (CID 122685300) is 1-[6-methyl-4-(thiophen-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide.
What is the SMILES notation for 1-[6-methyl-4-(thiophen-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide?
The canonical SMILES for 1-[6-methyl-4-(thiophen-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide is CN1Cc2nc(-n3ncc4c(C(N)=O)cccc43)nc(NCc3cccs3)c2C1.
What is the InChIKey of 1-[6-methyl-4-(thiophen-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide?
The InChIKey is CFINHHDEBKZDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7OS/c1-26-10-15-16(11-26)24-20(25-19(15)22-8-12-4-3-7-29-12)27-17-6-2-5-13(18(21)28)14(17)9-23-27/h2-7,9H,8,10-11H2,1H3,(H2,21,28)(H,22,24,25).
What are the key properties of 1-[6-methyl-4-(thiophen-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide?
1-[6-methyl-4-(thiophen-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide has a molecular weight of 405.49 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-4-(thiophen-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide is sourced from PubChem (CID 122685300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).