(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide

C24H29FN10O3 — CID 25205307

IUPAC(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)Nc2ccc(F)nc2)N(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C24H29FN10O3/c1-37-16-10-18(21(36)27-15-4-5-19(25)26-12-15)35(13-16)24-30-22(28-20-11-17(32-33-20)14-2-3-14)29-23(31-24)34-6-8-38-9-7-34/h4-5,11-12,14,16,18H,2-3,6-10,13H2,1H3,(H,27,36)(H2,28,29,30,31,32,33)/t16-,18-/m0/s1
InChIKeyUHKGBWFQPXEDBU-WMZOPIPTSA-N
MW524.56 g/mol
LogP1.82
Rot. Bonds8

About (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide

(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 25205307) has the molecular formula C24H29FN10O3 and a molecular weight of 524.56 g/mol. Its IUPAC name is (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID25205307
Molecular FormulaC24H29FN10O3
Molecular Weight524.56 g/mol
Exact Mass524.24
IUPAC Name(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)Nc2ccc(F)nc2)N(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C24H29FN10O3/c1-37-16-10-18(21(36)27-15-4-5-19(25)26-12-15)35(13-16)24-30-22(28-20-11-17(32-33-20)14-2-3-14)29-23(31-24)34-6-8-38-9-7-34/h4-5,11-12,14,16,18H,2-3,6-10,13H2,1H3,(H,27,36)(H2,28,29,30,31,32,33)/t16-,18-/m0/s1
InChIKeyUHKGBWFQPXEDBU-WMZOPIPTSA-N
XLogP1.82
TPSA146.31 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.56
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide (CID 25205307) is (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(=O)Nc2ccc(F)nc2)N(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CCOCC3)n2)C1.
What is the InChIKey of (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is UHKGBWFQPXEDBU-WMZOPIPTSA-N. The full InChI is InChI=1S/C24H29FN10O3/c1-37-16-10-18(21(36)27-15-4-5-19(25)26-12-15)35(13-16)24-30-22(28-20-11-17(32-33-20)14-2-3-14)29-23(31-24)34-6-8-38-9-7-34/h4-5,11-12,14,16,18H,2-3,6-10,13H2,1H3,(H,27,36)(H2,28,29,30,31,32,33)/t16-,18-/m0/s1.
What are the key properties of (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide?
(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 524.56 g/mol, XLogP of 1.82, 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-morpholin-4-yl-1,3,5-triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 25205307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).