4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid

C19H21N5O3 — CID 122091996

IUPAC4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid
SMILESCn1ncc2c(NC(=O)NC(CCC(=O)O)Cc3ccccc3)ccnc21
InChIInChI=1S/C19H21N5O3/c1-24-18-15(12-21-24)16(9-10-20-18)23-19(27)22-14(7-8-17(25)26)11-13-5-3-2-4-6-13/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,25,26)(H2,20,22,23,27)
InChIKeyDGLFBANQLBULFC-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.57
Rot. Bonds7

About 4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid

4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid (PubChem CID 122091996) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid
PubChem CID122091996
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid
SMILESCn1ncc2c(NC(=O)NC(CCC(=O)O)Cc3ccccc3)ccnc21
InChIInChI=1S/C19H21N5O3/c1-24-18-15(12-21-24)16(9-10-20-18)23-19(27)22-14(7-8-17(25)26)11-13-5-3-2-4-6-13/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,25,26)(H2,20,22,23,27)
InChIKeyDGLFBANQLBULFC-UHFFFAOYSA-N
XLogP2.57
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122008021
4-[2-(2-methylpyrazol-3-yl)propanoylamino]-5-phenylpentanoic acid
CID 122111365
4-[(5-cyclopropyl-1-propylpyrazol-4-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122094669
4-[(2-methoxy-5-methyl-3-pyridinyl)carbamoylamino]-5-phenylpentanoic acid
CID 122086037
4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122092507
4-[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122088653
4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-5-phenylpentanoic acid
CID 137168809
5-phenyl-4-[(5-propan-2-yl-1,3-thiazol-4-yl)carbamoylamino]pentanoic acid
CID 122093742
4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122016072
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
4-[[3-(2-methylpropanoylamino)phenyl]carbamoylamino]-5-phenylpentanoic acid
CID 122075451

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid (CID 122091996) is 4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid is Cn1ncc2c(NC(=O)NC(CCC(=O)O)Cc3ccccc3)ccnc21.
What is the InChIKey of 4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid?
The InChIKey is DGLFBANQLBULFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-24-18-15(12-21-24)16(9-10-20-18)23-19(27)22-14(7-8-17(25)26)11-13-5-3-2-4-6-13/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,25,26)(H2,20,22,23,27).
What are the key properties of 4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid?
4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid has a molecular weight of 367.41 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122091996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).