N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

C22H25N7O3 — CID 121279724

IUPACN-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESC[C@H](Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N)C(=O)N1CCOC[C@@H]1C
InChIInChI=1S/C22H25N7O3/c1-13-12-32-6-5-29(13)22(31)14(2)27-17-7-16(9-24-18(17)8-23)19-10-26-20(11-25-19)28-21(30)15-3-4-15/h7,9-11,13-15,27H,3-6,12H2,1-2H3,(H,26,28,30)/t13-,14-/m0/s1
InChIKeyPTFSRLPUTRQYMP-KBPBESRZSA-N
MW435.49 g/mol
LogP1.81
Rot. Bonds6

About N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 121279724) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
PubChem CID121279724
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC NameN-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESC[C@H](Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N)C(=O)N1CCOC[C@@H]1C
InChIInChI=1S/C22H25N7O3/c1-13-12-32-6-5-29(13)22(31)14(2)27-17-7-16(9-24-18(17)8-23)19-10-26-20(11-25-19)28-21(30)15-3-4-15/h7,9-11,13-15,27H,3-6,12H2,1-2H3,(H,26,28,30)/t13-,14-/m0/s1
InChIKeyPTFSRLPUTRQYMP-KBPBESRZSA-N
XLogP1.81
TPSA133.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (CID 121279724) is N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is C[C@H](Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N)C(=O)N1CCOC[C@@H]1C.
What is the InChIKey of N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is PTFSRLPUTRQYMP-KBPBESRZSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-13-12-32-6-5-29(13)22(31)14(2)27-17-7-16(9-24-18(17)8-23)19-10-26-20(11-25-19)28-21(30)15-3-4-15/h7,9-11,13-15,27H,3-6,12H2,1-2H3,(H,26,28,30)/t13-,14-/m0/s1.
What are the key properties of N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 435.49 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121279724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).