2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine

C21H23N7O — CID 150425950

IUPAC2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
SMILESc1cc(-c2cn[nH]c2)ccc1Nc1nc(N2C3CCC2CNC3)nc2c1COC2
InChIInChI=1S/C21H23N7O/c1-3-15(4-2-13(1)14-7-23-24-8-14)25-20-18-11-29-12-19(18)26-21(27-20)28-16-5-6-17(28)10-22-9-16/h1-4,7-8,16-17,22H,5-6,9-12H2,(H,23,24)(H,25,26,27)
InChIKeyHITKHQZZSVZWAL-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.58
Rot. Bonds4

About 2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine

2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine (PubChem CID 150425950) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
PubChem CID150425950
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
SMILESc1cc(-c2cn[nH]c2)ccc1Nc1nc(N2C3CCC2CNC3)nc2c1COC2
InChIInChI=1S/C21H23N7O/c1-3-15(4-2-13(1)14-7-23-24-8-14)25-20-18-11-29-12-19(18)26-21(27-20)28-16-5-6-17(28)10-22-9-16/h1-4,7-8,16-17,22H,5-6,9-12H2,(H,23,24)(H,25,26,27)
InChIKeyHITKHQZZSVZWAL-UHFFFAOYSA-N
XLogP2.58
TPSA90.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine (CID 150425950) is 2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine is c1cc(-c2cn[nH]c2)ccc1Nc1nc(N2C3CCC2CNC3)nc2c1COC2.
What is the InChIKey of 2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
The InChIKey is HITKHQZZSVZWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-3-15(4-2-13(1)14-7-23-24-8-14)25-20-18-11-29-12-19(18)26-21(27-20)28-16-5-6-17(28)10-22-9-16/h1-4,7-8,16-17,22H,5-6,9-12H2,(H,23,24)(H,25,26,27).
What are the key properties of 2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine has a molecular weight of 389.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 150425950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).