2-[3-[[(2R,3S)-2-cyclopropylpiperidin-3-yl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide

C23H29N7O2 — CID 59085556

IUPAC2-[3-[[(2R,3S)-2-cyclopropylpiperidin-3-yl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
SMILESCc1cnc(N[C@H]2CCCN[C@@H]2C2CC2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1
InChIInChI=1S/C23H29N7O2/c1-14-10-28-22(29-18-3-2-7-25-21(18)15-4-5-15)23(32)30(14)13-20(31)27-11-17-9-16-6-8-24-19(16)12-26-17/h6,8-10,12,15,18,21,24-25H,2-5,7,11,13H2,1H3,(H,27,31)(H,28,29)/t18-,21+/m0/s1
InChIKeyXRIXXYGPOSNLIY-GHTZIAJQSA-N
MW435.53 g/mol
LogP1.69
Rot. Bonds7

About 2-[3-[[(2R,3S)-2-cyclopropylpiperidin-3-yl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide

2-[3-[[(2R,3S)-2-cyclopropylpiperidin-3-yl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide (PubChem CID 59085556) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-[3-[[(2R,3S)-2-cyclopropylpiperidin-3-yl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[[(2R,3S)-2-cyclopropylpiperidin-3-yl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
PubChem CID59085556
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Name2-[3-[[(2R,3S)-2-cyclopropylpiperidin-3-yl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
SMILESCc1cnc(N[C@H]2CCCN[C@@H]2C2CC2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1
InChIInChI=1S/C23H29N7O2/c1-14-10-28-22(29-18-3-2-7-25-21(18)15-4-5-15)23(32)30(14)13-20(31)27-11-17-9-16-6-8-24-19(16)12-26-17/h6,8-10,12,15,18,21,24-25H,2-5,7,11,13H2,1H3,(H,27,31)(H,28,29)/t18-,21+/m0/s1
InChIKeyXRIXXYGPOSNLIY-GHTZIAJQSA-N
XLogP1.69
TPSA116.73 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[3-[[(2R,3S)-2-cyclopropylpiperidin-3-yl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide with MolForge

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Related Compounds

2-[3-[[(3R,4S)-4-cyclopropylpyrrolidin-3-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085827
2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085729
2-[3-[2-(3-fluoro-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085563
2-[4-[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]-2-methyl-6-oxo-1-pyridinyl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085596
1-methyl-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)piperidine-4-carboxamide
CID 167064572
N-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
CID 163555797
2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)acetamide
CID 59085734
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-(3-cyclopropylpropylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 86291383
N-[(5-methylpyrazin-2-yl)methyl]-1H-indole-6-carboxamide
CID 63770378
2-[3-[2-[3-(hydroxymethyl)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
CID 67603385
2-[3-[[(2R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
CID 15491487
N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[3-(cyclopropylmethylamino)propylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 59085736

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2R,3S)-2-cyclopropylpiperidin-3-yl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?
The IUPAC name of 2-[3-[[(2R,3S)-2-cyclopropylpiperidin-3-yl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide (CID 59085556) is 2-[3-[[(2R,3S)-2-cyclopropylpiperidin-3-yl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[[(2R,3S)-2-cyclopropylpiperidin-3-yl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[[(2R,3S)-2-cyclopropylpiperidin-3-yl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide is Cc1cnc(N[C@H]2CCCN[C@@H]2C2CC2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1.
What is the InChIKey of 2-[3-[[(2R,3S)-2-cyclopropylpiperidin-3-yl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?
The InChIKey is XRIXXYGPOSNLIY-GHTZIAJQSA-N. The full InChI is InChI=1S/C23H29N7O2/c1-14-10-28-22(29-18-3-2-7-25-21(18)15-4-5-15)23(32)30(14)13-20(31)27-11-17-9-16-6-8-24-19(16)12-26-17/h6,8-10,12,15,18,21,24-25H,2-5,7,11,13H2,1H3,(H,27,31)(H,28,29)/t18-,21+/m0/s1.
What are the key properties of 2-[3-[[(2R,3S)-2-cyclopropylpiperidin-3-yl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?
2-[3-[[(2R,3S)-2-cyclopropylpiperidin-3-yl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide has a molecular weight of 435.53 g/mol, XLogP of 1.69, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2R,3S)-2-cyclopropylpiperidin-3-yl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide is sourced from PubChem (CID 59085556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).