1-[(3S,4S)-1-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea

C24H25FN8O2 — CID 121416508

IUPAC1-[(3S,4S)-1-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
SMILESCCN1C[C@H](NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)[C@@H](Oc2cncc(F)c2)C1
InChIInChI=1S/C24H25FN8O2/c1-3-32-13-20(22(14-32)35-19-8-17(25)10-26-11-19)30-24(34)31-23-7-16-9-29-33(21(16)12-28-23)18-4-5-27-15(2)6-18/h4-12,20,22H,3,13-14H2,1-2H3,(H2,28,30,31,34)/t20-,22-/m0/s1
InChIKeyMLQOJLQTVIEUCS-UNMCSNQZSA-N
MW476.52 g/mol
LogP2.93
Rot. Bonds6

About 1-[(3S,4S)-1-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea

1-[(3S,4S)-1-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea (PubChem CID 121416508) has the molecular formula C24H25FN8O2 and a molecular weight of 476.52 g/mol. Its IUPAC name is 1-[(3S,4S)-1-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea.

Molecular Properties

Compound Name1-[(3S,4S)-1-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
PubChem CID121416508
Molecular FormulaC24H25FN8O2
Molecular Weight476.52 g/mol
Exact Mass476.21
IUPAC Name1-[(3S,4S)-1-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
SMILESCCN1C[C@H](NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)[C@@H](Oc2cncc(F)c2)C1
InChIInChI=1S/C24H25FN8O2/c1-3-32-13-20(22(14-32)35-19-8-17(25)10-26-11-19)30-24(34)31-23-7-16-9-29-33(21(16)12-28-23)18-4-5-27-15(2)6-18/h4-12,20,22H,3,13-14H2,1-2H3,(H2,28,30,31,34)/t20-,22-/m0/s1
InChIKeyMLQOJLQTVIEUCS-UNMCSNQZSA-N
XLogP2.93
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[(3S,4S)-1-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea 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 1-[(3S,4S)-1-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The IUPAC name of 1-[(3S,4S)-1-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea (CID 121416508) is 1-[(3S,4S)-1-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea.
What is the SMILES notation for 1-[(3S,4S)-1-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The canonical SMILES for 1-[(3S,4S)-1-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea is CCN1C[C@H](NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)[C@@H](Oc2cncc(F)c2)C1.
What is the InChIKey of 1-[(3S,4S)-1-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The InChIKey is MLQOJLQTVIEUCS-UNMCSNQZSA-N. The full InChI is InChI=1S/C24H25FN8O2/c1-3-32-13-20(22(14-32)35-19-8-17(25)10-26-11-19)30-24(34)31-23-7-16-9-29-33(21(16)12-28-23)18-4-5-27-15(2)6-18/h4-12,20,22H,3,13-14H2,1-2H3,(H2,28,30,31,34)/t20-,22-/m0/s1.
What are the key properties of 1-[(3S,4S)-1-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
1-[(3S,4S)-1-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea has a molecular weight of 476.52 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-1-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea is sourced from PubChem (CID 121416508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).