N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-5-yl)-5H-furo[3,4-d]pyrimidin-4-amine

C18H17N7O — CID 127028995

IUPACN-(1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-5-yl)-5H-furo[3,4-d]pyrimidin-4-amine
SMILESCC1(C)OCc2c(Nc3n[nH]c4ccccc34)nc(-c3ccn[nH]3)nc21
InChIInChI=1S/C18H17N7O/c1-18(2)14-11(9-26-18)15(22-17(20-14)13-7-8-19-23-13)21-16-10-5-3-4-6-12(10)24-25-16/h3-8H,9H2,1-2H3,(H,19,23)(H2,20,21,22,24,25)
InChIKeyXOJUWLRYTUGULU-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.25
Rot. Bonds3

About N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-5-yl)-5H-furo[3,4-d]pyrimidin-4-amine

N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-5-yl)-5H-furo[3,4-d]pyrimidin-4-amine (PubChem CID 127028995) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-5-yl)-5H-furo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-5-yl)-5H-furo[3,4-d]pyrimidin-4-amine
PubChem CID127028995
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC NameN-(1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-5-yl)-5H-furo[3,4-d]pyrimidin-4-amine
SMILESCC1(C)OCc2c(Nc3n[nH]c4ccccc34)nc(-c3ccn[nH]3)nc21
InChIInChI=1S/C18H17N7O/c1-18(2)14-11(9-26-18)15(22-17(20-14)13-7-8-19-23-13)21-16-10-5-3-4-6-12(10)24-25-16/h3-8H,9H2,1-2H3,(H,19,23)(H2,20,21,22,24,25)
InChIKeyXOJUWLRYTUGULU-UHFFFAOYSA-N
XLogP3.25
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(7-chloro-1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 92132732
N-(1H-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 92132733
N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 127027694
5-(2-aminoethoxymethyl)-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 10194801
5-[3-(dimethylamino)propoxymethyl]-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 22390490
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 44440820
(5-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)-N-methylmethanamine
CID 135497791
N-((5-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)-4-methylpyridin-3-yl)methyl)ethanamine
CID 135497794
3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-5-(pyridin-4-yl)-1H-pyrazolo[3,4-b]pyridine
CID 135497800
N-((5-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)propan-1-amine
CID 135497814
3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-5-(pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridine
CID 135497879
3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrazolo[3,4-b]pyridine
CID 135497881

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-5-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-5-yl)-5H-furo[3,4-d]pyrimidin-4-amine (CID 127028995) is N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-5-yl)-5H-furo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-5-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-5-yl)-5H-furo[3,4-d]pyrimidin-4-amine is CC1(C)OCc2c(Nc3n[nH]c4ccccc34)nc(-c3ccn[nH]3)nc21.
What is the InChIKey of N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-5-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
The InChIKey is XOJUWLRYTUGULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-18(2)14-11(9-26-18)15(22-17(20-14)13-7-8-19-23-13)21-16-10-5-3-4-6-12(10)24-25-16/h3-8H,9H2,1-2H3,(H,19,23)(H2,20,21,22,24,25).
What are the key properties of N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-5-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-5-yl)-5H-furo[3,4-d]pyrimidin-4-amine has a molecular weight of 347.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-5-yl)-5H-furo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 127028995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).