(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-fluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide

C24H30FN11O2 — CID 59436329

IUPAC(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-fluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)Nc2cnccn2)N(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CCC(F)CC3)n2)C1
InChIInChI=1S/C24H30FN11O2/c1-38-16-10-18(21(37)28-20-12-26-6-7-27-20)36(13-16)24-31-22(29-19-11-17(33-34-19)14-2-3-14)30-23(32-24)35-8-4-15(25)5-9-35/h6-7,11-12,14-16,18H,2-5,8-10,13H2,1H3,(H,27,28,37)(H2,29,30,31,32,33,34)/t16-,18-/m0/s1
InChIKeyJMPGJVKNZJDRJF-WMZOPIPTSA-N
MW523.58 g/mol
LogP2.18
Rot. Bonds8

About (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-fluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide

(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-fluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 59436329) has the molecular formula C24H30FN11O2 and a molecular weight of 523.58 g/mol. Its IUPAC name is (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-fluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-fluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID59436329
Molecular FormulaC24H30FN11O2
Molecular Weight523.58 g/mol
Exact Mass523.26
IUPAC Name(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-fluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)Nc2cnccn2)N(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CCC(F)CC3)n2)C1
InChIInChI=1S/C24H30FN11O2/c1-38-16-10-18(21(37)28-20-12-26-6-7-27-20)36(13-16)24-31-22(29-19-11-17(33-34-19)14-2-3-14)30-23(32-24)35-8-4-15(25)5-9-35/h6-7,11-12,14-16,18H,2-5,8-10,13H2,1H3,(H,27,28,37)(H2,29,30,31,32,33,34)/t16-,18-/m0/s1
InChIKeyJMPGJVKNZJDRJF-WMZOPIPTSA-N
XLogP2.18
TPSA149.97 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.58
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-fluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S,4S)-1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 59436305
(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 59436417
(4R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[4-(2-methoxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]-4-fluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 143752072
(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 59436405
ethyl N-[(3S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(2S,4R)-4-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]piperidin-3-yl]carbamate
CID 59436428
(2S,4S)-N-[(3R)-1-cyclopropylpiperidin-3-yl]-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-methoxypyrrolidine-2-carboxamide
CID 59436355
1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-4-fluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 68844739
(2S,4R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-4-fluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 66971561
(2S,4R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-fluoro-N-(6-fluoro-3-pyridinyl)pyrrolidine-2-carboxamide
CID 25205141
acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-pyrazin-2-ylformamide
CID 143752064
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[4-(2-methoxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 59436459
acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide
CID 143752175

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-fluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-fluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 59436329) is (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-fluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-fluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-fluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(=O)Nc2cnccn2)N(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CCC(F)CC3)n2)C1.
What is the InChIKey of (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-fluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is JMPGJVKNZJDRJF-WMZOPIPTSA-N. The full InChI is InChI=1S/C24H30FN11O2/c1-38-16-10-18(21(37)28-20-12-26-6-7-27-20)36(13-16)24-31-22(29-19-11-17(33-34-19)14-2-3-14)30-23(32-24)35-8-4-15(25)5-9-35/h6-7,11-12,14-16,18H,2-5,8-10,13H2,1H3,(H,27,28,37)(H2,29,30,31,32,33,34)/t16-,18-/m0/s1.
What are the key properties of (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-fluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-fluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 523.58 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-fluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 59436329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).