N-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]oxan-4-amine

C25H25N5O — CID 10201693

IUPACN-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]oxan-4-amine
SMILESc1ccc(-c2[nH]ncc2-c2ccnc(-c3ccc(CNC4CCOCC4)cc3)c2)nc1
InChIInChI=1S/C25H25N5O/c1-2-11-26-23(3-1)25-22(17-29-30-25)20-8-12-27-24(15-20)19-6-4-18(5-7-19)16-28-21-9-13-31-14-10-21/h1-8,11-12,15,17,21,28H,9-10,13-14,16H2,(H,29,30)
InChIKeyOPICSQLHBYQQDD-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.47
Rot. Bonds6

About N-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]oxan-4-amine

N-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]oxan-4-amine (PubChem CID 10201693) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]oxan-4-amine
PubChem CID10201693
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC NameN-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]oxan-4-amine
SMILESc1ccc(-c2[nH]ncc2-c2ccnc(-c3ccc(CNC4CCOCC4)cc3)c2)nc1
InChIInChI=1S/C25H25N5O/c1-2-11-26-23(3-1)25-22(17-29-30-25)20-8-12-27-24(15-20)19-6-4-18(5-7-19)16-28-21-9-13-31-14-10-21/h1-8,11-12,15,17,21,28H,9-10,13-14,16H2,(H,29,30)
InChIKeyOPICSQLHBYQQDD-UHFFFAOYSA-N
XLogP4.47
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]oxan-4-amine?
The IUPAC name of N-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]oxan-4-amine (CID 10201693) is N-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]oxan-4-amine.
What is the SMILES notation for N-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]oxan-4-amine?
The canonical SMILES for N-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]oxan-4-amine is c1ccc(-c2[nH]ncc2-c2ccnc(-c3ccc(CNC4CCOCC4)cc3)c2)nc1.
What is the InChIKey of N-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]oxan-4-amine?
The InChIKey is OPICSQLHBYQQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-2-11-26-23(3-1)25-22(17-29-30-25)20-8-12-27-24(15-20)19-6-4-18(5-7-19)16-28-21-9-13-31-14-10-21/h1-8,11-12,15,17,21,28H,9-10,13-14,16H2,(H,29,30).
What are the key properties of N-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]oxan-4-amine?
N-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]oxan-4-amine has a molecular weight of 411.51 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]oxan-4-amine is sourced from PubChem (CID 10201693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).