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

C22H23N7O — CID 53325282

IUPAC4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
SMILESc1cc(-c2cc(N3CCOCC3)nc(NCCc3ccncc3)n2)c2cn[nH]c2c1
InChIInChI=1S/C22H23N7O/c1-2-17(18-15-25-28-19(18)3-1)20-14-21(29-10-12-30-13-11-29)27-22(26-20)24-9-6-16-4-7-23-8-5-16/h1-5,7-8,14-15H,6,9-13H2,(H,25,28)(H,24,26,27)
InChIKeyNIHCXRYTEPYQNP-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.91
Rot. Bonds6

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

4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine (PubChem CID 53325282) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
PubChem CID53325282
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
SMILESc1cc(-c2cc(N3CCOCC3)nc(NCCc3ccncc3)n2)c2cn[nH]c2c1
InChIInChI=1S/C22H23N7O/c1-2-17(18-15-25-28-19(18)3-1)20-14-21(29-10-12-30-13-11-29)27-22(26-20)24-9-6-16-4-7-23-8-5-16/h1-5,7-8,14-15H,6,9-13H2,(H,25,28)(H,24,26,27)
InChIKeyNIHCXRYTEPYQNP-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 4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine (CID 53325282) is 4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine is c1cc(-c2cc(N3CCOCC3)nc(NCCc3ccncc3)n2)c2cn[nH]c2c1.
What is the InChIKey of 4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
The InChIKey is NIHCXRYTEPYQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-2-17(18-15-25-28-19(18)3-1)20-14-21(29-10-12-30-13-11-29)27-22(26-20)24-9-6-16-4-7-23-8-5-16/h1-5,7-8,14-15H,6,9-13H2,(H,25,28)(H,24,26,27).
What are the key properties of 4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-2-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 4-(1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 53325282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).