3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide

C20H29N9O2 — CID 155060273

IUPAC3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
SMILESCn1cc(Nc2nc(N3CCC[C@@H](NC(=O)C4CCNCC4)C3)cnc2C(N)=O)cn1
InChIInChI=1S/C20H29N9O2/c1-28-11-15(9-24-28)25-19-17(18(21)30)23-10-16(27-19)29-8-2-3-14(12-29)26-20(31)13-4-6-22-7-5-13/h9-11,13-14,22H,2-8,12H2,1H3,(H2,21,30)(H,25,27)(H,26,31)/t14-/m1/s1
InChIKeyFRVZRJDBUCJDPW-CQSZACIVSA-N
MW427.51 g/mol
LogP0.14
Rot. Bonds6

About 3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide

3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 155060273) has the molecular formula C20H29N9O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
PubChem CID155060273
Molecular FormulaC20H29N9O2
Molecular Weight427.51 g/mol
Exact Mass427.24
IUPAC Name3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
SMILESCn1cc(Nc2nc(N3CCC[C@@H](NC(=O)C4CCNCC4)C3)cnc2C(N)=O)cn1
InChIInChI=1S/C20H29N9O2/c1-28-11-15(9-24-28)25-19-17(18(21)30)23-10-16(27-19)29-8-2-3-14(12-29)26-20(31)13-4-6-22-7-5-13/h9-11,13-14,22H,2-8,12H2,1H3,(H2,21,30)(H,25,27)(H,26,31)/t14-/m1/s1
InChIKeyFRVZRJDBUCJDPW-CQSZACIVSA-N
XLogP0.14
TPSA143.09 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide (CID 155060273) is 3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide is Cn1cc(Nc2nc(N3CCC[C@@H](NC(=O)C4CCNCC4)C3)cnc2C(N)=O)cn1.
What is the InChIKey of 3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is FRVZRJDBUCJDPW-CQSZACIVSA-N. The full InChI is InChI=1S/C20H29N9O2/c1-28-11-15(9-24-28)25-19-17(18(21)30)23-10-16(27-19)29-8-2-3-14(12-29)26-20(31)13-4-6-22-7-5-13/h9-11,13-14,22H,2-8,12H2,1H3,(H2,21,30)(H,25,27)(H,26,31)/t14-/m1/s1.
What are the key properties of 3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide?
3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 0.14, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 155060273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).