2-amino-6-fluoro-N-[4-[4-[(3S)-4-methylmorpholin-3-yl]phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H22FN7O2 — CID 90200011

About 2-amino-6-fluoro-N-[4-[4-[(3S)-4-methylmorpholin-3-yl]phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[4-[4-[(3S)-4-methylmorpholin-3-yl]phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90200011) has the molecular formula C23H22FN7O2 and a molecular weight of 447.47 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[4-[(3S)-4-methylmorpholin-3-yl]phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-6-fluoro-N-[4-[4-[(3S)-4-methylmorpholin-3-yl]phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 90200011
• Molecular Formula: C23H22FN7O2
• Molecular Weight: 447.47 g/mol
• Exact Mass: 447.18
• IUPAC Name: 2-amino-6-fluoro-N-[4-[4-[(3S)-4-methylmorpholin-3-yl]phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN1CCOC[C@@H]1c1ccc(-c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)cc1
• InChI: InChI=1S/C23H22FN7O2/c1-30-8-9-33-13-19(30)15-4-2-14(3-5-15)17-6-7-26-11-18(17)28-23(32)20-21(25)29-31-12-16(24)10-27-22(20)31/h2-7,10-12,19H,8-9,13H2,1H3,(H2,25,29)(H,28,32)/t19-/m1/s1
• InChIKey: BCYAVLZMZFIREG-LJQANCHMSA-N
• XLogP: 2.77
• TPSA: 110.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.47
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[4-[(3S)-4-methylmorpholin-3-yl]phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-6-fluoro-N-[4-[4-[(3S)-4-methylmorpholin-3-yl]phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90200011) is 2-amino-6-fluoro-N-[4-[4-[(3S)-4-methylmorpholin-3-yl]phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-6-fluoro-N-[4-[4-[(3S)-4-methylmorpholin-3-yl]phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-6-fluoro-N-[4-[4-[(3S)-4-methylmorpholin-3-yl]phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCOC[C@@H]1c1ccc(-c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)cc1.

What is the InChIKey of 2-amino-6-fluoro-N-[4-[4-[(3S)-4-methylmorpholin-3-yl]phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is BCYAVLZMZFIREG-LJQANCHMSA-N. The full InChI is InChI=1S/C23H22FN7O2/c1-30-8-9-33-13-19(30)15-4-2-14(3-5-15)17-6-7-26-11-18(17)28-23(32)20-21(25)29-31-12-16(24)10-27-22(20)31/h2-7,10-12,19H,8-9,13H2,1H3,(H2,25,29)(H,28,32)/t19-/m1/s1.

What are the key properties of 2-amino-6-fluoro-N-[4-[4-[(3S)-4-methylmorpholin-3-yl]phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-6-fluoro-N-[4-[4-[(3S)-4-methylmorpholin-3-yl]phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 447.47 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-fluoro-N-[4-[4-[(3S)-4-methylmorpholin-3-yl]phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90200011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).