(5R)-5-[4-[4-(5-methylpyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione

C26H29N5O3 — CID 134494410

IUPAC(5R)-5-[4-[4-(5-methylpyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCc1cnc2c(ccn2C2CCN(C(=O)c3ccc([C@@]4(C(C)C)NC(=O)NC4=O)cc3)CC2)c1
InChIInChI=1S/C26H29N5O3/c1-16(2)26(24(33)28-25(34)29-26)20-6-4-18(5-7-20)23(32)30-11-9-21(10-12-30)31-13-8-19-14-17(3)15-27-22(19)31/h4-8,13-16,21H,9-12H2,1-3H3,(H2,28,29,33,34)/t26-/m1/s1
InChIKeyIBHARGWFZVSORE-AREMUKBSSA-N
MW459.55 g/mol
LogP3.51
Rot. Bonds4

About (5R)-5-[4-[4-(5-methylpyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione

(5R)-5-[4-[4-(5-methylpyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 134494410) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is (5R)-5-[4-[4-(5-methylpyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-[4-(5-methylpyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID134494410
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC Name(5R)-5-[4-[4-(5-methylpyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCc1cnc2c(ccn2C2CCN(C(=O)c3ccc([C@@]4(C(C)C)NC(=O)NC4=O)cc3)CC2)c1
InChIInChI=1S/C26H29N5O3/c1-16(2)26(24(33)28-25(34)29-26)20-6-4-18(5-7-20)23(32)30-11-9-21(10-12-30)31-13-8-19-14-17(3)15-27-22(19)31/h4-8,13-16,21H,9-12H2,1-3H3,(H2,28,29,33,34)/t26-/m1/s1
InChIKeyIBHARGWFZVSORE-AREMUKBSSA-N
XLogP3.51
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-[4-[4-(5,7-dimethylindazol-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494344
(5R)-5-[4-[4-(5-methylpyridine-2-carbonyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494258
(5R)-5-[4-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495001
5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495188
(5R)-5-[4-[4-(5,6-dimethyl-1-benzofuran-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494835
5-[4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494930
5-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495096
(5R)-5-[4-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495170
(2S,3S)-3-[(3,5-dimethyl-2-pyridinyl)amino]-1-[4-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-4-yl]benzoyl]pyrrolidine-2-carboxylic acid
CID 134495042
(5R)-5-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494747
5-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-(methoxymethyl)piperazine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494382
5-[4-(4-naphthalen-2-ylpiperazine-1-carbonyl)phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494502

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-[4-(5-methylpyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-[4-(5-methylpyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 134494410) is (5R)-5-[4-[4-(5-methylpyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-[4-(5-methylpyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-[4-(5-methylpyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione is Cc1cnc2c(ccn2C2CCN(C(=O)c3ccc([C@@]4(C(C)C)NC(=O)NC4=O)cc3)CC2)c1.
What is the InChIKey of (5R)-5-[4-[4-(5-methylpyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is IBHARGWFZVSORE-AREMUKBSSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-16(2)26(24(33)28-25(34)29-26)20-6-4-18(5-7-20)23(32)30-11-9-21(10-12-30)31-13-8-19-14-17(3)15-27-22(19)31/h4-8,13-16,21H,9-12H2,1-3H3,(H2,28,29,33,34)/t26-/m1/s1.
What are the key properties of (5R)-5-[4-[4-(5-methylpyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
(5R)-5-[4-[4-(5-methylpyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 459.55 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-[4-(5-methylpyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 134494410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).