N-[(2S)-1,1-dicyclopropyl-3-[[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C27H34FN7O4 — CID 168936236

About N-[(2S)-1,1-dicyclopropyl-3-[[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

N-[(2S)-1,1-dicyclopropyl-3-[[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 168936236) has the molecular formula C27H34FN7O4 and a molecular weight of 539.61 g/mol. Its IUPAC name is N-[(2S)-1,1-dicyclopropyl-3-[[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1,1-dicyclopropyl-3-[[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 168936236
• Molecular Formula: C27H34FN7O4
• Molecular Weight: 539.61 g/mol
• Exact Mass: 539.27
• IUPAC Name: N-[(2S)-1,1-dicyclopropyl-3-[[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• SMILES: COCC(c1cc(F)c[nH]c1=O)n1cc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)cn1
• InChI: InChI=1S/C27H34FN7O4/c1-15(2)35-21(8-9-30-35)26(37)33-24(23(16-4-5-16)17-6-7-17)27(38)32-19-12-31-34(13-19)22(14-39-3)20-10-18(28)11-29-25(20)36/h8-13,15-17,22-24H,4-7,14H2,1-3H3,(H,29,36)(H,32,38)(H,33,37)/t22?,24-/m0/s1
• InChIKey: VZGPSDDGLFMMKL-GITCGBDTSA-N
• XLogP: 2.90
• TPSA: 135.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.61
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 168936236) is N-[(2S)-1,1-dicyclopropyl-3-[[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-1,1-dicyclopropyl-3-[[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N-[(2S)-1,1-dicyclopropyl-3-[[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is COCC(c1cc(F)c[nH]c1=O)n1cc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)cn1.

What is the InChIKey of N-[(2S)-1,1-dicyclopropyl-3-[[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The InChIKey is VZGPSDDGLFMMKL-GITCGBDTSA-N. The full InChI is InChI=1S/C27H34FN7O4/c1-15(2)35-21(8-9-30-35)26(37)33-24(23(16-4-5-16)17-6-7-17)27(38)32-19-12-31-34(13-19)22(14-39-3)20-10-18(28)11-29-25(20)36/h8-13,15-17,22-24H,4-7,14H2,1-3H3,(H,29,36)(H,32,38)(H,33,37)/t22?,24-/m0/s1.

What are the key properties of N-[(2S)-1,1-dicyclopropyl-3-[[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

N-[(2S)-1,1-dicyclopropyl-3-[[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 539.61 g/mol, XLogP of 2.90, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1,1-dicyclopropyl-3-[[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 168936236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).