6-(1H-indazol-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine

C22H23N7O — CID 53321327

IUPAC6-(1H-indazol-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
SMILESc1cncc(CCNc2cc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C22H23N7O/c1-4-17(18-15-25-28-19(18)5-1)20-13-21(24-8-6-16-3-2-7-23-14-16)27-22(26-20)29-9-11-30-12-10-29/h1-5,7,13-15H,6,8-12H2,(H,25,28)(H,24,26,27)
InChIKeyHYBWIVGSOZVRHJ-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.91
Rot. Bonds6

About 6-(1H-indazol-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine

6-(1H-indazol-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine (PubChem CID 53321327) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 6-(1H-indazol-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1H-indazol-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
PubChem CID53321327
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name6-(1H-indazol-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
SMILESc1cncc(CCNc2cc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C22H23N7O/c1-4-17(18-15-25-28-19(18)5-1)20-13-21(24-8-6-16-3-2-7-23-14-16)27-22(26-20)29-9-11-30-12-10-29/h1-5,7,13-15H,6,8-12H2,(H,25,28)(H,24,26,27)
InChIKeyHYBWIVGSOZVRHJ-UHFFFAOYSA-N
XLogP2.91
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-(1H-indazol-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine (CID 53321327) is 6-(1H-indazol-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1H-indazol-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1H-indazol-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine is c1cncc(CCNc2cc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 6-(1H-indazol-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine?
The InChIKey is HYBWIVGSOZVRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-4-17(18-15-25-28-19(18)5-1)20-13-21(24-8-6-16-3-2-7-23-14-16)27-22(26-20)29-9-11-30-12-10-29/h1-5,7,13-15H,6,8-12H2,(H,25,28)(H,24,26,27).
What are the key properties of 6-(1H-indazol-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine?
6-(1H-indazol-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine has a molecular weight of 401.47 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 53321327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).