(3R)-5-chloro-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,3'-pyrrolidine]

C18H18ClN5 — CID 11996170

IUPAC(3R)-5-chloro-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,3'-pyrrolidine]
SMILESCc1c[nH]c2ncnc(N3C[C@]4(CCNC4)c4cc(Cl)ccc43)c12
InChIInChI=1S/C18H18ClN5/c1-11-7-21-16-15(11)17(23-10-22-16)24-9-18(4-5-20-8-18)13-6-12(19)2-3-14(13)24/h2-3,6-7,10,20H,4-5,8-9H2,1H3,(H,21,22,23)/t18-/m1/s1
InChIKeyADNGPCCUTRHRIM-GOSISDBHSA-N
MW339.83 g/mol
LogP3.30
Rot. Bonds1

About (3R)-5-chloro-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,3'-pyrrolidine]

(3R)-5-chloro-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,3'-pyrrolidine] (PubChem CID 11996170) has the molecular formula C18H18ClN5 and a molecular weight of 339.83 g/mol. Its IUPAC name is (3R)-5-chloro-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,3'-pyrrolidine].

Molecular Properties

Compound Name(3R)-5-chloro-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,3'-pyrrolidine]
PubChem CID11996170
Molecular FormulaC18H18ClN5
Molecular Weight339.83 g/mol
Exact Mass339.13
IUPAC Name(3R)-5-chloro-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,3'-pyrrolidine]
SMILESCc1c[nH]c2ncnc(N3C[C@]4(CCNC4)c4cc(Cl)ccc43)c12
InChIInChI=1S/C18H18ClN5/c1-11-7-21-16-15(11)17(23-10-22-16)24-9-18(4-5-20-8-18)13-6-12(19)2-3-14(13)24/h2-3,6-7,10,20H,4-5,8-9H2,1H3,(H,21,22,23)/t18-/m1/s1
InChIKeyADNGPCCUTRHRIM-GOSISDBHSA-N
XLogP3.30
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-5-chloro-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,3'-pyrrolidine] with MolForge

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Related Compounds

1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid
CID 91562420
(3S)-5-chloro-1'-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,3'-pyrrolidine]
CID 11996311
1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-amine
CID 68980012
N-[(4-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-amine
CID 11997386
(3R)-5-methyl-1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,3'-piperidine]
CID 163660955
3-[(4-chloroanilino)methyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 59671658
N-(2,2-dimethylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-amine
CID 11997522
1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]
CID 11996455
5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 5357765
ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine
CID 162382237
2-[1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-yl]acetamide
CID 68735066
N-[[(3S)-3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-3,4-difluorobenzamide
CID 69237839

Frequently Asked Questions

What is the IUPAC name of (3R)-5-chloro-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,3'-pyrrolidine]?
The IUPAC name of (3R)-5-chloro-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,3'-pyrrolidine] (CID 11996170) is (3R)-5-chloro-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,3'-pyrrolidine].
What is the SMILES notation for (3R)-5-chloro-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,3'-pyrrolidine]?
The canonical SMILES for (3R)-5-chloro-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,3'-pyrrolidine] is Cc1c[nH]c2ncnc(N3C[C@]4(CCNC4)c4cc(Cl)ccc43)c12.
What is the InChIKey of (3R)-5-chloro-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,3'-pyrrolidine]?
The InChIKey is ADNGPCCUTRHRIM-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18ClN5/c1-11-7-21-16-15(11)17(23-10-22-16)24-9-18(4-5-20-8-18)13-6-12(19)2-3-14(13)24/h2-3,6-7,10,20H,4-5,8-9H2,1H3,(H,21,22,23)/t18-/m1/s1.
What are the key properties of (3R)-5-chloro-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,3'-pyrrolidine]?
(3R)-5-chloro-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,3'-pyrrolidine] has a molecular weight of 339.83 g/mol, XLogP of 3.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-chloro-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,3'-pyrrolidine] is sourced from PubChem (CID 11996170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).