5-fluoro-N-[5-[[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-pyridinyl]-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-amine

C26H30FN9 — CID 130320328

IUPAC5-fluoro-N-[5-[[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-pyridinyl]-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-amine
SMILESCc1nc2ncc(-c3nc(Nc4ccc(CN5CC6C[C@H]5CN6C)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C26H30FN9/c1-15(2)36-16(3)31-25-22(36)7-18(10-29-25)24-21(27)11-30-26(33-24)32-23-6-5-17(9-28-23)12-35-14-19-8-20(35)13-34(19)4/h5-7,9-11,15,19-20H,8,12-14H2,1-4H3,(H,28,30,32,33)/t19?,20-/m0/s1
InChIKeyHEKOJWHQLPOFJN-ANYOKISRSA-N
MW487.59 g/mol
LogP3.94
Rot. Bonds6

About 5-fluoro-N-[5-[[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-pyridinyl]-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-amine

5-fluoro-N-[5-[[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-pyridinyl]-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-amine (PubChem CID 130320328) has the molecular formula C26H30FN9 and a molecular weight of 487.59 g/mol. Its IUPAC name is 5-fluoro-N-[5-[[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-pyridinyl]-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[5-[[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-pyridinyl]-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-amine
PubChem CID130320328
Molecular FormulaC26H30FN9
Molecular Weight487.59 g/mol
Exact Mass487.26
IUPAC Name5-fluoro-N-[5-[[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-pyridinyl]-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-amine
SMILESCc1nc2ncc(-c3nc(Nc4ccc(CN5CC6C[C@H]5CN6C)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C26H30FN9/c1-15(2)36-16(3)31-25-22(36)7-18(10-29-25)24-21(27)11-30-26(33-24)32-23-6-5-17(9-28-23)12-35-14-19-8-20(35)13-34(19)4/h5-7,9-11,15,19-20H,8,12-14H2,1-4H3,(H,28,30,32,33)/t19?,20-/m0/s1
InChIKeyHEKOJWHQLPOFJN-ANYOKISRSA-N
XLogP3.94
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-fluoro-N-[5-[[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-pyridinyl]-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-amine 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 5-fluoro-N-[5-[[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-pyridinyl]-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[5-[[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-pyridinyl]-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-amine (CID 130320328) is 5-fluoro-N-[5-[[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-pyridinyl]-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[5-[[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-pyridinyl]-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[5-[[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-pyridinyl]-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-amine is Cc1nc2ncc(-c3nc(Nc4ccc(CN5CC6C[C@H]5CN6C)cn4)ncc3F)cc2n1C(C)C.
What is the InChIKey of 5-fluoro-N-[5-[[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-pyridinyl]-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-amine?
The InChIKey is HEKOJWHQLPOFJN-ANYOKISRSA-N. The full InChI is InChI=1S/C26H30FN9/c1-15(2)36-16(3)31-25-22(36)7-18(10-29-25)24-21(27)11-30-26(33-24)32-23-6-5-17(9-28-23)12-35-14-19-8-20(35)13-34(19)4/h5-7,9-11,15,19-20H,8,12-14H2,1-4H3,(H,28,30,32,33)/t19?,20-/m0/s1.
What are the key properties of 5-fluoro-N-[5-[[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-pyridinyl]-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-amine?
5-fluoro-N-[5-[[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-pyridinyl]-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-amine has a molecular weight of 487.59 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[5-[[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-pyridinyl]-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-amine is sourced from PubChem (CID 130320328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).