6-[7-[3-(aminomethyl)cyclobutyl]pyrrolo[2,3-d]pyrimidin-5-yl]-1H-indazol-3-amine

C18H19N7 — CID 59376947

IUPAC6-[7-[3-(aminomethyl)cyclobutyl]pyrrolo[2,3-d]pyrimidin-5-yl]-1H-indazol-3-amine
SMILESNCC1CC(n2cc(-c3ccc4c(N)n[nH]c4c3)c3cncnc32)C1
InChIInChI=1S/C18H19N7/c19-6-10-3-12(4-10)25-8-15(14-7-21-9-22-18(14)25)11-1-2-13-16(5-11)23-24-17(13)20/h1-2,5,7-10,12H,3-4,6,19H2,(H3,20,23,24)
InChIKeyLDZYCEDFIDKNMC-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.47
Rot. Bonds3

About 6-[7-[3-(aminomethyl)cyclobutyl]pyrrolo[2,3-d]pyrimidin-5-yl]-1H-indazol-3-amine

6-[7-[3-(aminomethyl)cyclobutyl]pyrrolo[2,3-d]pyrimidin-5-yl]-1H-indazol-3-amine (PubChem CID 59376947) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 6-[7-[3-(aminomethyl)cyclobutyl]pyrrolo[2,3-d]pyrimidin-5-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Name6-[7-[3-(aminomethyl)cyclobutyl]pyrrolo[2,3-d]pyrimidin-5-yl]-1H-indazol-3-amine
PubChem CID59376947
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name6-[7-[3-(aminomethyl)cyclobutyl]pyrrolo[2,3-d]pyrimidin-5-yl]-1H-indazol-3-amine
SMILESNCC1CC(n2cc(-c3ccc4c(N)n[nH]c4c3)c3cncnc32)C1
InChIInChI=1S/C18H19N7/c19-6-10-3-12(4-10)25-8-15(14-7-21-9-22-18(14)25)11-1-2-13-16(5-11)23-24-17(13)20/h1-2,5,7-10,12H,3-4,6,19H2,(H3,20,23,24)
InChIKeyLDZYCEDFIDKNMC-UHFFFAOYSA-N
XLogP2.47
TPSA111.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[7-[3-(aminomethyl)cyclobutyl]pyrrolo[2,3-d]pyrimidin-5-yl]-1H-indazol-3-amine?
The IUPAC name of 6-[7-[3-(aminomethyl)cyclobutyl]pyrrolo[2,3-d]pyrimidin-5-yl]-1H-indazol-3-amine (CID 59376947) is 6-[7-[3-(aminomethyl)cyclobutyl]pyrrolo[2,3-d]pyrimidin-5-yl]-1H-indazol-3-amine.
What is the SMILES notation for 6-[7-[3-(aminomethyl)cyclobutyl]pyrrolo[2,3-d]pyrimidin-5-yl]-1H-indazol-3-amine?
The canonical SMILES for 6-[7-[3-(aminomethyl)cyclobutyl]pyrrolo[2,3-d]pyrimidin-5-yl]-1H-indazol-3-amine is NCC1CC(n2cc(-c3ccc4c(N)n[nH]c4c3)c3cncnc32)C1.
What is the InChIKey of 6-[7-[3-(aminomethyl)cyclobutyl]pyrrolo[2,3-d]pyrimidin-5-yl]-1H-indazol-3-amine?
The InChIKey is LDZYCEDFIDKNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c19-6-10-3-12(4-10)25-8-15(14-7-21-9-22-18(14)25)11-1-2-13-16(5-11)23-24-17(13)20/h1-2,5,7-10,12H,3-4,6,19H2,(H3,20,23,24).
What are the key properties of 6-[7-[3-(aminomethyl)cyclobutyl]pyrrolo[2,3-d]pyrimidin-5-yl]-1H-indazol-3-amine?
6-[7-[3-(aminomethyl)cyclobutyl]pyrrolo[2,3-d]pyrimidin-5-yl]-1H-indazol-3-amine has a molecular weight of 333.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[3-(aminomethyl)cyclobutyl]pyrrolo[2,3-d]pyrimidin-5-yl]-1H-indazol-3-amine is sourced from PubChem (CID 59376947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).