6-imidazo[4,5-b]pyridin-1-yl-N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine

C21H22N8O — CID 132968991

IUPAC6-imidazo[4,5-b]pyridin-1-yl-N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine
SMILESCN1CCC[C@H]1COc1ccc(Nc2cc(-n3cnc4ncccc43)ncn2)nc1
InChIInChI=1S/C21H22N8O/c1-28-9-3-4-15(28)12-30-16-6-7-18(23-11-16)27-19-10-20(25-13-24-19)29-14-26-21-17(29)5-2-8-22-21/h2,5-8,10-11,13-15H,3-4,9,12H2,1H3,(H,23,24,25,27)/t15-/m0/s1
InChIKeyKXBKPNSSZAFEBH-HNNXBMFYSA-N
MW402.46 g/mol
LogP2.82
Rot. Bonds6

About 6-imidazo[4,5-b]pyridin-1-yl-N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine

6-imidazo[4,5-b]pyridin-1-yl-N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine (PubChem CID 132968991) has the molecular formula C21H22N8O and a molecular weight of 402.46 g/mol. Its IUPAC name is 6-imidazo[4,5-b]pyridin-1-yl-N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-imidazo[4,5-b]pyridin-1-yl-N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine
PubChem CID132968991
Molecular FormulaC21H22N8O
Molecular Weight402.46 g/mol
Exact Mass402.19
IUPAC Name6-imidazo[4,5-b]pyridin-1-yl-N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine
SMILESCN1CCC[C@H]1COc1ccc(Nc2cc(-n3cnc4ncccc43)ncn2)nc1
InChIInChI=1S/C21H22N8O/c1-28-9-3-4-15(28)12-30-16-6-7-18(23-11-16)27-19-10-20(25-13-24-19)29-14-26-21-17(29)5-2-8-22-21/h2,5-8,10-11,13-15H,3-4,9,12H2,1H3,(H,23,24,25,27)/t15-/m0/s1
InChIKeyKXBKPNSSZAFEBH-HNNXBMFYSA-N
XLogP2.82
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-imidazo[4,5-b]pyridin-1-yl-N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 6-imidazo[4,5-b]pyridin-1-yl-N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine (CID 132968991) is 6-imidazo[4,5-b]pyridin-1-yl-N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 6-imidazo[4,5-b]pyridin-1-yl-N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 6-imidazo[4,5-b]pyridin-1-yl-N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine is CN1CCC[C@H]1COc1ccc(Nc2cc(-n3cnc4ncccc43)ncn2)nc1.
What is the InChIKey of 6-imidazo[4,5-b]pyridin-1-yl-N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is KXBKPNSSZAFEBH-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22N8O/c1-28-9-3-4-15(28)12-30-16-6-7-18(23-11-16)27-19-10-20(25-13-24-19)29-14-26-21-17(29)5-2-8-22-21/h2,5-8,10-11,13-15H,3-4,9,12H2,1H3,(H,23,24,25,27)/t15-/m0/s1.
What are the key properties of 6-imidazo[4,5-b]pyridin-1-yl-N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine?
6-imidazo[4,5-b]pyridin-1-yl-N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 402.46 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazo[4,5-b]pyridin-1-yl-N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 132968991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).