N-[4-[3-(2-chlorophenyl)-1-cyclopropylpyrazol-4-yl]oxy-2-pyridinyl]-2-morpholin-4-ylpyridin-4-amine

C26H25ClN6O2 — CID 150733617

IUPACN-[4-[3-(2-chlorophenyl)-1-cyclopropylpyrazol-4-yl]oxy-2-pyridinyl]-2-morpholin-4-ylpyridin-4-amine
SMILESClc1ccccc1-c1nn(C2CC2)cc1Oc1ccnc(Nc2ccnc(N3CCOCC3)c2)c1
InChIInChI=1S/C26H25ClN6O2/c27-22-4-2-1-3-21(22)26-23(17-33(31-26)19-5-6-19)35-20-8-10-28-24(16-20)30-18-7-9-29-25(15-18)32-11-13-34-14-12-32/h1-4,7-10,15-17,19H,5-6,11-14H2,(H,28,29,30)
InChIKeyJSIYWLAAUBACNW-UHFFFAOYSA-N
MW488.98 g/mol
LogP5.70
Rot. Bonds7

About N-[4-[3-(2-chlorophenyl)-1-cyclopropylpyrazol-4-yl]oxy-2-pyridinyl]-2-morpholin-4-ylpyridin-4-amine

N-[4-[3-(2-chlorophenyl)-1-cyclopropylpyrazol-4-yl]oxy-2-pyridinyl]-2-morpholin-4-ylpyridin-4-amine (PubChem CID 150733617) has the molecular formula C26H25ClN6O2 and a molecular weight of 488.98 g/mol. Its IUPAC name is N-[4-[3-(2-chlorophenyl)-1-cyclopropylpyrazol-4-yl]oxy-2-pyridinyl]-2-morpholin-4-ylpyridin-4-amine.

Molecular Properties

Compound NameN-[4-[3-(2-chlorophenyl)-1-cyclopropylpyrazol-4-yl]oxy-2-pyridinyl]-2-morpholin-4-ylpyridin-4-amine
PubChem CID150733617
Molecular FormulaC26H25ClN6O2
Molecular Weight488.98 g/mol
Exact Mass488.17
IUPAC NameN-[4-[3-(2-chlorophenyl)-1-cyclopropylpyrazol-4-yl]oxy-2-pyridinyl]-2-morpholin-4-ylpyridin-4-amine
SMILESClc1ccccc1-c1nn(C2CC2)cc1Oc1ccnc(Nc2ccnc(N3CCOCC3)c2)c1
InChIInChI=1S/C26H25ClN6O2/c27-22-4-2-1-3-21(22)26-23(17-33(31-26)19-5-6-19)35-20-8-10-28-24(16-20)30-18-7-9-29-25(15-18)32-11-13-34-14-12-32/h1-4,7-10,15-17,19H,5-6,11-14H2,(H,28,29,30)
InChIKeyJSIYWLAAUBACNW-UHFFFAOYSA-N
XLogP5.70
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.98
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-chlorophenyl)-1-cyclopropylpyrazol-4-yl]oxy-2-pyridinyl]-2-morpholin-4-ylpyridin-4-amine?
The IUPAC name of N-[4-[3-(2-chlorophenyl)-1-cyclopropylpyrazol-4-yl]oxy-2-pyridinyl]-2-morpholin-4-ylpyridin-4-amine (CID 150733617) is N-[4-[3-(2-chlorophenyl)-1-cyclopropylpyrazol-4-yl]oxy-2-pyridinyl]-2-morpholin-4-ylpyridin-4-amine.
What is the SMILES notation for N-[4-[3-(2-chlorophenyl)-1-cyclopropylpyrazol-4-yl]oxy-2-pyridinyl]-2-morpholin-4-ylpyridin-4-amine?
The canonical SMILES for N-[4-[3-(2-chlorophenyl)-1-cyclopropylpyrazol-4-yl]oxy-2-pyridinyl]-2-morpholin-4-ylpyridin-4-amine is Clc1ccccc1-c1nn(C2CC2)cc1Oc1ccnc(Nc2ccnc(N3CCOCC3)c2)c1.
What is the InChIKey of N-[4-[3-(2-chlorophenyl)-1-cyclopropylpyrazol-4-yl]oxy-2-pyridinyl]-2-morpholin-4-ylpyridin-4-amine?
The InChIKey is JSIYWLAAUBACNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O2/c27-22-4-2-1-3-21(22)26-23(17-33(31-26)19-5-6-19)35-20-8-10-28-24(16-20)30-18-7-9-29-25(15-18)32-11-13-34-14-12-32/h1-4,7-10,15-17,19H,5-6,11-14H2,(H,28,29,30).
What are the key properties of N-[4-[3-(2-chlorophenyl)-1-cyclopropylpyrazol-4-yl]oxy-2-pyridinyl]-2-morpholin-4-ylpyridin-4-amine?
N-[4-[3-(2-chlorophenyl)-1-cyclopropylpyrazol-4-yl]oxy-2-pyridinyl]-2-morpholin-4-ylpyridin-4-amine has a molecular weight of 488.98 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-chlorophenyl)-1-cyclopropylpyrazol-4-yl]oxy-2-pyridinyl]-2-morpholin-4-ylpyridin-4-amine is sourced from PubChem (CID 150733617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).