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

C20H21N5O3 — CID 73442390

IUPAC1-(6-methoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESCOc1cccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)cn2)n1
InChIInChI=1S/C20H21N5O3/c1-27-19-4-2-3-18(24-19)25-13-15(11-22-25)20(26)23-16-7-5-14(6-8-16)17-12-21-9-10-28-17/h2-8,11,13,17,21H,9-10,12H2,1H3,(H,23,26)/t17-/m1/s1
InChIKeyICNDPGNXCNHWBU-QGZVFWFLSA-N
MW379.42 g/mol
LogP2.19
Rot. Bonds5

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

1-(6-methoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (PubChem CID 73442390) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-(6-methoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(6-methoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
PubChem CID73442390
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name1-(6-methoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESCOc1cccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)cn2)n1
InChIInChI=1S/C20H21N5O3/c1-27-19-4-2-3-18(24-19)25-13-15(11-22-25)20(26)23-16-7-5-14(6-8-16)17-12-21-9-10-28-17/h2-8,11,13,17,21H,9-10,12H2,1H3,(H,23,26)/t17-/m1/s1
InChIKeyICNDPGNXCNHWBU-QGZVFWFLSA-N
XLogP2.19
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(6-methoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (CID 73442390) is 1-(6-methoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(6-methoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(6-methoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is COc1cccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)cn2)n1.
What is the InChIKey of 1-(6-methoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The InChIKey is ICNDPGNXCNHWBU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-27-19-4-2-3-18(24-19)25-13-15(11-22-25)20(26)23-16-7-5-14(6-8-16)17-12-21-9-10-28-17/h2-8,11,13,17,21H,9-10,12H2,1H3,(H,23,26)/t17-/m1/s1.
What are the key properties of 1-(6-methoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
1-(6-methoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 73442390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).