1-[(3R)-1-ethylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R)-1-propylpyrrolidin-3-yl]urea

C39H48N14O2 — CID 121418097

IUPAC1-[(3R)-1-ethylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R)-1-propylpyrrolidin-3-yl]urea
SMILESCCCN1CC[C@@H](NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)C1.CCN1CC[C@@H](NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)C1
InChIInChI=1S/C20H25N7O.C19H23N7O/c1-3-7-26-8-5-16(13-26)24-20(28)25-19-10-15-11-23-27(18(15)12-22-19)17-4-6-21-14(2)9-17;1-3-25-7-5-15(12-25)23-19(27)24-18-9-14-10-22-26(17(14)11-21-18)16-4-6-20-13(2)8-16/h4,6,9-12,16H,3,5,7-8,13H2,1-2H3,(H2,22,24,25,28);4,6,8-11,15H,3,5,7,12H2,1-2H3,(H2,21,23,24,27)/t16-;15-/m11/s1
InChIKeyFTWIWGCFHRYRLY-YJNKZXLUSA-N
MW744.91 g/mol
LogP5.07
Rot. Bonds9

About 1-[(3R)-1-ethylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R)-1-propylpyrrolidin-3-yl]urea

1-[(3R)-1-ethylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R)-1-propylpyrrolidin-3-yl]urea (PubChem CID 121418097) has the molecular formula C39H48N14O2 and a molecular weight of 744.91 g/mol. Its IUPAC name is 1-[(3R)-1-ethylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R)-1-propylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[(3R)-1-ethylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R)-1-propylpyrrolidin-3-yl]urea
PubChem CID121418097
Molecular FormulaC39H48N14O2
Molecular Weight744.91 g/mol
Exact Mass744.41
IUPAC Name1-[(3R)-1-ethylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R)-1-propylpyrrolidin-3-yl]urea
SMILESCCCN1CC[C@@H](NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)C1.CCN1CC[C@@H](NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)C1
InChIInChI=1S/C20H25N7O.C19H23N7O/c1-3-7-26-8-5-16(13-26)24-20(28)25-19-10-15-11-23-27(18(15)12-22-19)17-4-6-21-14(2)9-17;1-3-25-7-5-15(12-25)23-19(27)24-18-9-14-10-22-26(17(14)11-21-18)16-4-6-20-13(2)8-16/h4,6,9-12,16H,3,5,7-8,13H2,1-2H3,(H2,22,24,25,28);4,6,8-11,15H,3,5,7,12H2,1-2H3,(H2,21,23,24,27)/t16-;15-/m11/s1
InChIKeyFTWIWGCFHRYRLY-YJNKZXLUSA-N
XLogP5.07
TPSA175.94 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500744.91
LogP ≤ 55.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 1-[(3R)-1-ethylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R)-1-propylpyrrolidin-3-yl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-{1-[8-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
CID 66802145
N-ethyl-6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-amine
CID 89914090
(3S)-1-[3-methyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-3-amine
CID 71253383
[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]urea
CID 71253517
5-(1-ethylpyrazol-4-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253671
5-(1-methyl-1H-pyrazol-4-yl)-3-(6-(piperazin-1-yl)pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253734
(S)-1-(6-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
CID 71253771
(R)-1-(6-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
CID 71253835
(R)-1-(6-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)pyrrolidin-3-amine
CID 71253906
US11111247, Example 17
CID 146478808
3-methyl-1-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]imidazolidine-2,4-dione
CID 71254349
US11111247, Example 9
CID 146448849

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-ethylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R)-1-propylpyrrolidin-3-yl]urea?
The IUPAC name of 1-[(3R)-1-ethylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R)-1-propylpyrrolidin-3-yl]urea (CID 121418097) is 1-[(3R)-1-ethylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R)-1-propylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[(3R)-1-ethylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R)-1-propylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-[(3R)-1-ethylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R)-1-propylpyrrolidin-3-yl]urea is CCCN1CC[C@@H](NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)C1.CCN1CC[C@@H](NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)C1.
What is the InChIKey of 1-[(3R)-1-ethylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R)-1-propylpyrrolidin-3-yl]urea?
The InChIKey is FTWIWGCFHRYRLY-YJNKZXLUSA-N. The full InChI is InChI=1S/C20H25N7O.C19H23N7O/c1-3-7-26-8-5-16(13-26)24-20(28)25-19-10-15-11-23-27(18(15)12-22-19)17-4-6-21-14(2)9-17;1-3-25-7-5-15(12-25)23-19(27)24-18-9-14-10-22-26(17(14)11-21-18)16-4-6-20-13(2)8-16/h4,6,9-12,16H,3,5,7-8,13H2,1-2H3,(H2,22,24,25,28);4,6,8-11,15H,3,5,7,12H2,1-2H3,(H2,21,23,24,27)/t16-;15-/m11/s1.
What are the key properties of 1-[(3R)-1-ethylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R)-1-propylpyrrolidin-3-yl]urea?
1-[(3R)-1-ethylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R)-1-propylpyrrolidin-3-yl]urea has a molecular weight of 744.91 g/mol, XLogP of 5.07, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-ethylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R)-1-propylpyrrolidin-3-yl]urea is sourced from PubChem (CID 121418097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).