N-(1H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine

C18H12N6O — CID 53323287

IUPACN-(1H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine
SMILESc1cnc(-c2oc3cnccc3c2Nc2cccc3[nH]ncc23)nc1
InChIInChI=1S/C18H12N6O/c1-3-13(12-9-22-24-14(12)4-1)23-16-11-5-8-19-10-15(11)25-17(16)18-20-6-2-7-21-18/h1-10,23H,(H,22,24)
InChIKeyDXAZNLDWFQEWKT-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.90
Rot. Bonds3

About N-(1H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine

N-(1H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine (PubChem CID 53323287) has the molecular formula C18H12N6O and a molecular weight of 328.34 g/mol. Its IUPAC name is N-(1H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine.

Molecular Properties

Compound NameN-(1H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine
PubChem CID53323287
Molecular FormulaC18H12N6O
Molecular Weight328.34 g/mol
Exact Mass328.11
IUPAC NameN-(1H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine
SMILESc1cnc(-c2oc3cnccc3c2Nc2cccc3[nH]ncc23)nc1
InChIInChI=1S/C18H12N6O/c1-3-13(12-9-22-24-14(12)4-1)23-16-11-5-8-19-10-15(11)25-17(16)18-20-6-2-7-21-18/h1-10,23H,(H,22,24)
InChIKeyDXAZNLDWFQEWKT-UHFFFAOYSA-N
XLogP3.90
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine?
The IUPAC name of N-(1H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine (CID 53323287) is N-(1H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine.
What is the SMILES notation for N-(1H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine?
The canonical SMILES for N-(1H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine is c1cnc(-c2oc3cnccc3c2Nc2cccc3[nH]ncc23)nc1.
What is the InChIKey of N-(1H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine?
The InChIKey is DXAZNLDWFQEWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6O/c1-3-13(12-9-22-24-14(12)4-1)23-16-11-5-8-19-10-15(11)25-17(16)18-20-6-2-7-21-18/h1-10,23H,(H,22,24).
What are the key properties of N-(1H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine?
N-(1H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine has a molecular weight of 328.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine is sourced from PubChem (CID 53323287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).