N-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine

C21H14N6O — CID 50940491

IUPACN-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine
SMILESc1cnc(-c2oc3cnccc3c2Nc2ccc3c(c2)Cc2cn[nH]c2-3)nc1
InChIInChI=1S/C21H14N6O/c1-5-23-21(24-6-1)20-19(16-4-7-22-11-17(16)28-20)26-14-2-3-15-12(9-14)8-13-10-25-27-18(13)15/h1-7,9-11,26H,8H2,(H,25,27)
InChIKeyAORAGEHQXBTRRF-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.32
Rot. Bonds3

About N-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine

N-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine (PubChem CID 50940491) has the molecular formula C21H14N6O and a molecular weight of 366.38 g/mol. Its IUPAC name is N-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine.

Molecular Properties

Compound NameN-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine
PubChem CID50940491
Molecular FormulaC21H14N6O
Molecular Weight366.38 g/mol
Exact Mass366.12
IUPAC NameN-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine
SMILESc1cnc(-c2oc3cnccc3c2Nc2ccc3c(c2)Cc2cn[nH]c2-3)nc1
InChIInChI=1S/C21H14N6O/c1-5-23-21(24-6-1)20-19(16-4-7-22-11-17(16)28-20)26-14-2-3-15-12(9-14)8-13-10-25-27-18(13)15/h1-7,9-11,26H,8H2,(H,25,27)
InChIKeyAORAGEHQXBTRRF-UHFFFAOYSA-N
XLogP4.32
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine?
The IUPAC name of N-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine (CID 50940491) is N-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine.
What is the SMILES notation for N-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine?
The canonical SMILES for N-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine is c1cnc(-c2oc3cnccc3c2Nc2ccc3c(c2)Cc2cn[nH]c2-3)nc1.
What is the InChIKey of N-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine?
The InChIKey is AORAGEHQXBTRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N6O/c1-5-23-21(24-6-1)20-19(16-4-7-22-11-17(16)28-20)26-14-2-3-15-12(9-14)8-13-10-25-27-18(13)15/h1-7,9-11,26H,8H2,(H,25,27).
What are the key properties of N-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine?
N-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine has a molecular weight of 366.38 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine is sourced from PubChem (CID 50940491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).