N-(1H-indazol-5-ylmethyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine

C14H13N7 — CID 150211029

IUPACN-(1H-indazol-5-ylmethyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine
SMILESCn1ncc2nc(NCc3ccc4[nH]ncc4c3)ncc21
InChIInChI=1S/C14H13N7/c1-21-13-8-16-14(19-12(13)7-18-21)15-5-9-2-3-11-10(4-9)6-17-20-11/h2-4,6-8H,5H2,1H3,(H,17,20)(H,15,16,19)
InChIKeyFRMLHQLKIZBCTB-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.85
Rot. Bonds3

About N-(1H-indazol-5-ylmethyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine

N-(1H-indazol-5-ylmethyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine (PubChem CID 150211029) has the molecular formula C14H13N7 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-(1H-indazol-5-ylmethyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-ylmethyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine
PubChem CID150211029
Molecular FormulaC14H13N7
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC NameN-(1H-indazol-5-ylmethyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine
SMILESCn1ncc2nc(NCc3ccc4[nH]ncc4c3)ncc21
InChIInChI=1S/C14H13N7/c1-21-13-8-16-14(19-12(13)7-18-21)15-5-9-2-3-11-10(4-9)6-17-20-11/h2-4,6-8H,5H2,1H3,(H,17,20)(H,15,16,19)
InChIKeyFRMLHQLKIZBCTB-UHFFFAOYSA-N
XLogP1.85
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-ylmethyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine?
The IUPAC name of N-(1H-indazol-5-ylmethyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine (CID 150211029) is N-(1H-indazol-5-ylmethyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine.
What is the SMILES notation for N-(1H-indazol-5-ylmethyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine?
The canonical SMILES for N-(1H-indazol-5-ylmethyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine is Cn1ncc2nc(NCc3ccc4[nH]ncc4c3)ncc21.
What is the InChIKey of N-(1H-indazol-5-ylmethyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine?
The InChIKey is FRMLHQLKIZBCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7/c1-21-13-8-16-14(19-12(13)7-18-21)15-5-9-2-3-11-10(4-9)6-17-20-11/h2-4,6-8H,5H2,1H3,(H,17,20)(H,15,16,19).
What are the key properties of N-(1H-indazol-5-ylmethyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine?
N-(1H-indazol-5-ylmethyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine has a molecular weight of 279.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-ylmethyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine is sourced from PubChem (CID 150211029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).