3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)piperidin-1-yl]pyrazine-2-carboxamide

C19H25N9O3 — CID 164762653

IUPAC3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)piperidin-1-yl]pyrazine-2-carboxamide
SMILESCn1cc(Nc2nc(N3CCC[C@@H](N4CC5(CNC5)OC4=O)C3)cnc2C(N)=O)cn1
InChIInChI=1S/C19H25N9O3/c1-26-7-12(5-23-26)24-17-15(16(20)29)22-6-14(25-17)27-4-2-3-13(8-27)28-11-19(9-21-10-19)31-18(28)30/h5-7,13,21H,2-4,8-11H2,1H3,(H2,20,29)(H,24,25)/t13-/m1/s1
InChIKeyMZHSRMXLDQMINB-CYBMUJFWSA-N
MW427.47 g/mol
LogP-0.18
Rot. Bonds5

About 3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)piperidin-1-yl]pyrazine-2-carboxamide

3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 164762653) has the molecular formula C19H25N9O3 and a molecular weight of 427.47 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)piperidin-1-yl]pyrazine-2-carboxamide
PubChem CID164762653
Molecular FormulaC19H25N9O3
Molecular Weight427.47 g/mol
Exact Mass427.21
IUPAC Name3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)piperidin-1-yl]pyrazine-2-carboxamide
SMILESCn1cc(Nc2nc(N3CCC[C@@H](N4CC5(CNC5)OC4=O)C3)cnc2C(N)=O)cn1
InChIInChI=1S/C19H25N9O3/c1-26-7-12(5-23-26)24-17-15(16(20)29)22-6-14(25-17)27-4-2-3-13(8-27)28-11-19(9-21-10-19)31-18(28)30/h5-7,13,21H,2-4,8-11H2,1H3,(H2,20,29)(H,24,25)/t13-/m1/s1
InChIKeyMZHSRMXLDQMINB-CYBMUJFWSA-N
XLogP-0.18
TPSA143.53 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)piperidin-1-yl]pyrazine-2-carboxamide with MolForge

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Related Compounds

3-[4-(4-methylpiperidin-4-yl)anilino]-5-[3-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 166452795
3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 146484926
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5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide
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5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-[1-(trifluoromethyl)cyclopropyl]anilino]pyrazine-2-carboxamide
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5-[3-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazine-2-carboxamide
CID 166452701
5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]-3-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 146835383
3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 129156504
(3aR,7aR)-4-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine-1-carboxamide
CID 135362019
5-[(3R)-3-[2-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxoisoquinolin-6-yl]piperidin-4-yl]methyl]-5-oxo-2,6-diazaspiro[3.4]octan-6-yl]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 170391189
3-[4-(1-cyclobutylpiperidin-4-yl)anilino]-5-[(3R)-3-(3-cyclopropyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114448
4-(diethylamino)benzamide;3-[(1-methylpyrazol-4-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 145201182

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)piperidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)piperidin-1-yl]pyrazine-2-carboxamide (CID 164762653) is 3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)piperidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)piperidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)piperidin-1-yl]pyrazine-2-carboxamide is Cn1cc(Nc2nc(N3CCC[C@@H](N4CC5(CNC5)OC4=O)C3)cnc2C(N)=O)cn1.
What is the InChIKey of 3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)piperidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is MZHSRMXLDQMINB-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N9O3/c1-26-7-12(5-23-26)24-17-15(16(20)29)22-6-14(25-17)27-4-2-3-13(8-27)28-11-19(9-21-10-19)31-18(28)30/h5-7,13,21H,2-4,8-11H2,1H3,(H2,20,29)(H,24,25)/t13-/m1/s1.
What are the key properties of 3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)piperidin-1-yl]pyrazine-2-carboxamide?
3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 427.47 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 164762653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).