[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]methanone

C24H25FN10O2 — CID 155205085

IUPAC[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]methanone
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(N2CC3COCC(C2)N3C(=O)c2ccc(-n3cc(F)cn3)nc2)n1
InChIInChI=1S/C24H25FN10O2/c1-14-5-20(29-21-6-15(2)31-32-21)30-24(28-14)33-10-18-12-37-13-19(11-33)35(18)23(36)16-3-4-22(26-7-16)34-9-17(25)8-27-34/h3-9,18-19H,10-13H2,1-2H3,(H2,28,29,30,31,32)
InChIKeySZTLWJSWANAPBP-UHFFFAOYSA-N
MW504.53 g/mol
LogP2.01
Rot. Bonds5

About [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]methanone

[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]methanone (PubChem CID 155205085) has the molecular formula C24H25FN10O2 and a molecular weight of 504.53 g/mol. Its IUPAC name is [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]methanone.

Molecular Properties

Compound Name[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]methanone
PubChem CID155205085
Molecular FormulaC24H25FN10O2
Molecular Weight504.53 g/mol
Exact Mass504.21
IUPAC Name[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]methanone
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(N2CC3COCC(C2)N3C(=O)c2ccc(-n3cc(F)cn3)nc2)n1
InChIInChI=1S/C24H25FN10O2/c1-14-5-20(29-21-6-15(2)31-32-21)30-24(28-14)33-10-18-12-37-13-19(11-33)35(18)23(36)16-3-4-22(26-7-16)34-9-17(25)8-27-34/h3-9,18-19H,10-13H2,1-2H3,(H2,28,29,30,31,32)
InChIKeySZTLWJSWANAPBP-UHFFFAOYSA-N
XLogP2.01
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.53
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]methanone 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 [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]methanone?
The IUPAC name of [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]methanone (CID 155205085) is [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]methanone.
What is the SMILES notation for [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]methanone?
The canonical SMILES for [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]methanone is Cc1cc(Nc2cc(C)[nH]n2)nc(N2CC3COCC(C2)N3C(=O)c2ccc(-n3cc(F)cn3)nc2)n1.
What is the InChIKey of [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]methanone?
The InChIKey is SZTLWJSWANAPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN10O2/c1-14-5-20(29-21-6-15(2)31-32-21)30-24(28-14)33-10-18-12-37-13-19(11-33)35(18)23(36)16-3-4-22(26-7-16)34-9-17(25)8-27-34/h3-9,18-19H,10-13H2,1-2H3,(H2,28,29,30,31,32).
What are the key properties of [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]methanone?
[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]methanone has a molecular weight of 504.53 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]methanone is sourced from PubChem (CID 155205085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).