N-[(1R)-1-phenylethyl]-6-(1H-pyrazolo[3,4-b]pyridin-4-yl)quinazolin-2-amine

C22H18N6 — CID 135281179

IUPACN-[(1R)-1-phenylethyl]-6-(1H-pyrazolo[3,4-b]pyridin-4-yl)quinazolin-2-amine
SMILESC[C@@H](Nc1ncc2cc(-c3ccnc4[nH]ncc34)ccc2n1)c1ccccc1
InChIInChI=1S/C22H18N6/c1-14(15-5-3-2-4-6-15)26-22-24-12-17-11-16(7-8-20(17)27-22)18-9-10-23-21-19(18)13-25-28-21/h2-14H,1H3,(H,23,25,28)(H,24,26,27)/t14-/m1/s1
InChIKeyFQAXHHYJUXMXTG-CQSZACIVSA-N
MW366.43 g/mol
LogP4.74
Rot. Bonds4

About N-[(1R)-1-phenylethyl]-6-(1H-pyrazolo[3,4-b]pyridin-4-yl)quinazolin-2-amine

N-[(1R)-1-phenylethyl]-6-(1H-pyrazolo[3,4-b]pyridin-4-yl)quinazolin-2-amine (PubChem CID 135281179) has the molecular formula C22H18N6 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-6-(1H-pyrazolo[3,4-b]pyridin-4-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-6-(1H-pyrazolo[3,4-b]pyridin-4-yl)quinazolin-2-amine
PubChem CID135281179
Molecular FormulaC22H18N6
Molecular Weight366.43 g/mol
Exact Mass366.16
IUPAC NameN-[(1R)-1-phenylethyl]-6-(1H-pyrazolo[3,4-b]pyridin-4-yl)quinazolin-2-amine
SMILESC[C@@H](Nc1ncc2cc(-c3ccnc4[nH]ncc34)ccc2n1)c1ccccc1
InChIInChI=1S/C22H18N6/c1-14(15-5-3-2-4-6-15)26-22-24-12-17-11-16(7-8-20(17)27-22)18-9-10-23-21-19(18)13-25-28-21/h2-14H,1H3,(H,23,25,28)(H,24,26,27)/t14-/m1/s1
InChIKeyFQAXHHYJUXMXTG-CQSZACIVSA-N
XLogP4.74
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-6-(1H-pyrazolo[3,4-b]pyridin-4-yl)quinazolin-2-amine?
The IUPAC name of N-[(1R)-1-phenylethyl]-6-(1H-pyrazolo[3,4-b]pyridin-4-yl)quinazolin-2-amine (CID 135281179) is N-[(1R)-1-phenylethyl]-6-(1H-pyrazolo[3,4-b]pyridin-4-yl)quinazolin-2-amine.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-6-(1H-pyrazolo[3,4-b]pyridin-4-yl)quinazolin-2-amine?
The canonical SMILES for N-[(1R)-1-phenylethyl]-6-(1H-pyrazolo[3,4-b]pyridin-4-yl)quinazolin-2-amine is C[C@@H](Nc1ncc2cc(-c3ccnc4[nH]ncc34)ccc2n1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-6-(1H-pyrazolo[3,4-b]pyridin-4-yl)quinazolin-2-amine?
The InChIKey is FQAXHHYJUXMXTG-CQSZACIVSA-N. The full InChI is InChI=1S/C22H18N6/c1-14(15-5-3-2-4-6-15)26-22-24-12-17-11-16(7-8-20(17)27-22)18-9-10-23-21-19(18)13-25-28-21/h2-14H,1H3,(H,23,25,28)(H,24,26,27)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-6-(1H-pyrazolo[3,4-b]pyridin-4-yl)quinazolin-2-amine?
N-[(1R)-1-phenylethyl]-6-(1H-pyrazolo[3,4-b]pyridin-4-yl)quinazolin-2-amine has a molecular weight of 366.43 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-6-(1H-pyrazolo[3,4-b]pyridin-4-yl)quinazolin-2-amine is sourced from PubChem (CID 135281179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).