1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide

C21H23N5O3 — CID 73442392

IUPAC1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESCCOc1cccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)cn2)n1
InChIInChI=1S/C21H23N5O3/c1-2-28-20-5-3-4-19(25-20)26-14-16(12-23-26)21(27)24-17-8-6-15(7-9-17)18-13-22-10-11-29-18/h3-9,12,14,18,22H,2,10-11,13H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyBOJQVQWGSQTWRG-GOSISDBHSA-N
MW393.45 g/mol
LogP2.58
Rot. Bonds6

About 1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide

1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (PubChem CID 73442392) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
PubChem CID73442392
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESCCOc1cccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)cn2)n1
InChIInChI=1S/C21H23N5O3/c1-2-28-20-5-3-4-19(25-20)26-14-16(12-23-26)21(27)24-17-8-6-15(7-9-17)18-13-22-10-11-29-18/h3-9,12,14,18,22H,2,10-11,13H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyBOJQVQWGSQTWRG-GOSISDBHSA-N
XLogP2.58
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (CID 73442392) is 1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is CCOc1cccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)cn2)n1.
What is the InChIKey of 1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The InChIKey is BOJQVQWGSQTWRG-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-2-28-20-5-3-4-19(25-20)26-14-16(12-23-26)21(27)24-17-8-6-15(7-9-17)18-13-22-10-11-29-18/h3-9,12,14,18,22H,2,10-11,13H2,1H3,(H,24,27)/t18-/m1/s1.
What are the key properties of 1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 73442392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).