(2S)-2-(carbamoylamino)-3-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide

C19H22N6O2 — CID 34313702

IUPAC(2S)-2-(carbamoylamino)-3-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
SMILESCC(C)n1ncc2cc(NC(=O)[C@H](Cc3ccccc3)NC(N)=O)cnc21
InChIInChI=1S/C19H22N6O2/c1-12(2)25-17-14(10-22-25)9-15(11-21-17)23-18(26)16(24-19(20)27)8-13-6-4-3-5-7-13/h3-7,9-12,16H,8H2,1-2H3,(H,23,26)(H3,20,24,27)/t16-/m0/s1
InChIKeyAAZBWUWMFNMTAI-INIZCTEOSA-N
MW366.43 g/mol
LogP2.23
Rot. Bonds6

About (2S)-2-(carbamoylamino)-3-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide

(2S)-2-(carbamoylamino)-3-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide (PubChem CID 34313702) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-3-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-3-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
PubChem CID34313702
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name(2S)-2-(carbamoylamino)-3-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
SMILESCC(C)n1ncc2cc(NC(=O)[C@H](Cc3ccccc3)NC(N)=O)cnc21
InChIInChI=1S/C19H22N6O2/c1-12(2)25-17-14(10-22-25)9-15(11-21-17)23-18(26)16(24-19(20)27)8-13-6-4-3-5-7-13/h3-7,9-12,16H,8H2,1-2H3,(H,23,26)(H3,20,24,27)/t16-/m0/s1
InChIKeyAAZBWUWMFNMTAI-INIZCTEOSA-N
XLogP2.23
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pentanamide
CID 61260663
1-[2-(benzylsulfonylamino)ethyl]-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
CID 47040109
(2S)-2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide
CID 103831926
2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 51080497
(2S)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 37244583
2-(carbamoylamino)-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 24636305
2-methyl-3-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]phenyl]propanoic acid
CID 120541413
N-[3-[[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)carbamoylamino]methyl]phenyl]acetamide
CID 55741507
5-phenyl-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 120547250
4-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide
CID 81087136
N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 134008809
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 39344346

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-3-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-3-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide (CID 34313702) is (2S)-2-(carbamoylamino)-3-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-3-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-3-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide is CC(C)n1ncc2cc(NC(=O)[C@H](Cc3ccccc3)NC(N)=O)cnc21.
What is the InChIKey of (2S)-2-(carbamoylamino)-3-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide?
The InChIKey is AAZBWUWMFNMTAI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-12(2)25-17-14(10-22-25)9-15(11-21-17)23-18(26)16(24-19(20)27)8-13-6-4-3-5-7-13/h3-7,9-12,16H,8H2,1-2H3,(H,23,26)(H3,20,24,27)/t16-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-3-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide?
(2S)-2-(carbamoylamino)-3-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide has a molecular weight of 366.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-3-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 34313702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).