[4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]-pyrrolidin-1-ylmethanone

C22H21ClN6O2 — CID 72735066

IUPAC[4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(C(=O)N4CCCC4)cc3)c2[nH]1
InChIInChI=1S/C22H21ClN6O2/c1-13-16(12-28(2)27-13)20-25-18-19(17(23)11-24-21(18)26-20)31-15-7-5-14(6-8-15)22(30)29-9-3-4-10-29/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,25,26)
InChIKeyOBDQVCZZFFVZBL-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.35
Rot. Bonds4

About [4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]-pyrrolidin-1-ylmethanone

[4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 72735066) has the molecular formula C22H21ClN6O2 and a molecular weight of 436.90 g/mol. Its IUPAC name is [4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID72735066
Molecular FormulaC22H21ClN6O2
Molecular Weight436.90 g/mol
Exact Mass436.14
IUPAC Name[4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(C(=O)N4CCCC4)cc3)c2[nH]1
InChIInChI=1S/C22H21ClN6O2/c1-13-16(12-28(2)27-13)20-25-18-19(17(23)11-24-21(18)26-20)31-15-7-5-14(6-8-15)22(30)29-9-3-4-10-29/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,25,26)
InChIKeyOBDQVCZZFFVZBL-UHFFFAOYSA-N
XLogP4.35
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]-pyrrolidin-1-ylmethanone (CID 72735066) is [4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]-pyrrolidin-1-ylmethanone is Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(C(=O)N4CCCC4)cc3)c2[nH]1.
What is the InChIKey of [4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is OBDQVCZZFFVZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O2/c1-13-16(12-28(2)27-13)20-25-18-19(17(23)11-24-21(18)26-20)31-15-7-5-14(6-8-15)22(30)29-9-3-4-10-29/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,25,26).
What are the key properties of [4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]-pyrrolidin-1-ylmethanone?
[4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 436.90 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 72735066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).