2-amino-6-fluoro-N-[5-fluoro-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H26F2N8O2 — CID 90199092

IUPAC2-amino-6-fluoro-N-[5-fluoro-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C22H26F2N8O2/c23-15-9-27-21-18(20(25)29-32(21)13-15)22(33)28-17-11-26-10-16(24)19(17)31-3-1-14(2-4-31)12-30-5-7-34-8-6-30/h9-11,13-14H,1-8,12H2,(H2,25,29)(H,28,33)
InChIKeyOLWMUBOKOKRAFV-UHFFFAOYSA-N
MW472.50 g/mol
LogP1.79
Rot. Bonds5

About 2-amino-6-fluoro-N-[5-fluoro-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[5-fluoro-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199092) has the molecular formula C22H26F2N8O2 and a molecular weight of 472.50 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-fluoro-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[5-fluoro-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199092
Molecular FormulaC22H26F2N8O2
Molecular Weight472.50 g/mol
Exact Mass472.21
IUPAC Name2-amino-6-fluoro-N-[5-fluoro-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C22H26F2N8O2/c23-15-9-27-21-18(20(25)29-32(21)13-15)22(33)28-17-11-26-10-16(24)19(17)31-3-1-14(2-4-31)12-30-5-7-34-8-6-30/h9-11,13-14H,1-8,12H2,(H2,25,29)(H,28,33)
InChIKeyOLWMUBOKOKRAFV-UHFFFAOYSA-N
XLogP1.79
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-6-fluoro-N-[5-fluoro-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199092) is 2-amino-6-fluoro-N-[5-fluoro-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[5-fluoro-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[5-fluoro-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OLWMUBOKOKRAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N8O2/c23-15-9-27-21-18(20(25)29-32(21)13-15)22(33)28-17-11-26-10-16(24)19(17)31-3-1-14(2-4-31)12-30-5-7-34-8-6-30/h9-11,13-14H,1-8,12H2,(H2,25,29)(H,28,33).
What are the key properties of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[5-fluoro-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 472.50 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[5-fluoro-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).