5-[[(2R)-piperidin-2-yl]methoxy]-N-[1-(pyridin-2-ylmethyl)indazol-5-yl]quinazolin-4-amine

C27H27N7O — CID 68947786

IUPAC5-[[(2R)-piperidin-2-yl]methoxy]-N-[1-(pyridin-2-ylmethyl)indazol-5-yl]quinazolin-4-amine
SMILESc1ccc(Cn2ncc3cc(Nc4ncnc5cccc(OC[C@H]6CCCCN6)c45)ccc32)nc1
InChIInChI=1S/C27H27N7O/c1-3-12-28-21(6-1)16-34-24-11-10-20(14-19(24)15-32-34)33-27-26-23(30-18-31-27)8-5-9-25(26)35-17-22-7-2-4-13-29-22/h1,3,5-6,8-12,14-15,18,22,29H,2,4,7,13,16-17H2,(H,30,31,33)/t22-/m1/s1
InChIKeyUINKGFLZRJKYQW-JOCHJYFZSA-N
MW465.56 g/mol
LogP4.69
Rot. Bonds7

About 5-[[(2R)-piperidin-2-yl]methoxy]-N-[1-(pyridin-2-ylmethyl)indazol-5-yl]quinazolin-4-amine

5-[[(2R)-piperidin-2-yl]methoxy]-N-[1-(pyridin-2-ylmethyl)indazol-5-yl]quinazolin-4-amine (PubChem CID 68947786) has the molecular formula C27H27N7O and a molecular weight of 465.56 g/mol. Its IUPAC name is 5-[[(2R)-piperidin-2-yl]methoxy]-N-[1-(pyridin-2-ylmethyl)indazol-5-yl]quinazolin-4-amine.

Molecular Properties

Compound Name5-[[(2R)-piperidin-2-yl]methoxy]-N-[1-(pyridin-2-ylmethyl)indazol-5-yl]quinazolin-4-amine
PubChem CID68947786
Molecular FormulaC27H27N7O
Molecular Weight465.56 g/mol
Exact Mass465.23
IUPAC Name5-[[(2R)-piperidin-2-yl]methoxy]-N-[1-(pyridin-2-ylmethyl)indazol-5-yl]quinazolin-4-amine
SMILESc1ccc(Cn2ncc3cc(Nc4ncnc5cccc(OC[C@H]6CCCCN6)c45)ccc32)nc1
InChIInChI=1S/C27H27N7O/c1-3-12-28-21(6-1)16-34-24-11-10-20(14-19(24)15-32-34)33-27-26-23(30-18-31-27)8-5-9-25(26)35-17-22-7-2-4-13-29-22/h1,3,5-6,8-12,14-15,18,22,29H,2,4,7,13,16-17H2,(H,30,31,33)/t22-/m1/s1
InChIKeyUINKGFLZRJKYQW-JOCHJYFZSA-N
XLogP4.69
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-piperidin-2-yl]methoxy]-N-[1-(pyridin-2-ylmethyl)indazol-5-yl]quinazolin-4-amine?
The IUPAC name of 5-[[(2R)-piperidin-2-yl]methoxy]-N-[1-(pyridin-2-ylmethyl)indazol-5-yl]quinazolin-4-amine (CID 68947786) is 5-[[(2R)-piperidin-2-yl]methoxy]-N-[1-(pyridin-2-ylmethyl)indazol-5-yl]quinazolin-4-amine.
What is the SMILES notation for 5-[[(2R)-piperidin-2-yl]methoxy]-N-[1-(pyridin-2-ylmethyl)indazol-5-yl]quinazolin-4-amine?
The canonical SMILES for 5-[[(2R)-piperidin-2-yl]methoxy]-N-[1-(pyridin-2-ylmethyl)indazol-5-yl]quinazolin-4-amine is c1ccc(Cn2ncc3cc(Nc4ncnc5cccc(OC[C@H]6CCCCN6)c45)ccc32)nc1.
What is the InChIKey of 5-[[(2R)-piperidin-2-yl]methoxy]-N-[1-(pyridin-2-ylmethyl)indazol-5-yl]quinazolin-4-amine?
The InChIKey is UINKGFLZRJKYQW-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H27N7O/c1-3-12-28-21(6-1)16-34-24-11-10-20(14-19(24)15-32-34)33-27-26-23(30-18-31-27)8-5-9-25(26)35-17-22-7-2-4-13-29-22/h1,3,5-6,8-12,14-15,18,22,29H,2,4,7,13,16-17H2,(H,30,31,33)/t22-/m1/s1.
What are the key properties of 5-[[(2R)-piperidin-2-yl]methoxy]-N-[1-(pyridin-2-ylmethyl)indazol-5-yl]quinazolin-4-amine?
5-[[(2R)-piperidin-2-yl]methoxy]-N-[1-(pyridin-2-ylmethyl)indazol-5-yl]quinazolin-4-amine has a molecular weight of 465.56 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-piperidin-2-yl]methoxy]-N-[1-(pyridin-2-ylmethyl)indazol-5-yl]quinazolin-4-amine is sourced from PubChem (CID 68947786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).