N-spiro[3.4]octan-3-yl-5-(1,3-thiazol-2-ylamino)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide

C19H21N5OS — CID 164822703

IUPACN-spiro[3.4]octan-3-yl-5-(1,3-thiazol-2-ylamino)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
SMILESO=C(NC1CCC12CCCC2)c1nc(Nc2nccs2)cc2cc[nH]c12
InChIInChI=1S/C19H21N5OS/c25-17(22-13-3-7-19(13)5-1-2-6-19)16-15-12(4-8-20-15)11-14(23-16)24-18-21-9-10-26-18/h4,8-11,13,20H,1-3,5-7H2,(H,22,25)(H,21,23,24)
InChIKeyDYCKSDRQTGKRAM-UHFFFAOYSA-N
MW367.48 g/mol
LogP4.22
Rot. Bonds4

About N-spiro[3.4]octan-3-yl-5-(1,3-thiazol-2-ylamino)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide

N-spiro[3.4]octan-3-yl-5-(1,3-thiazol-2-ylamino)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide (PubChem CID 164822703) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is N-spiro[3.4]octan-3-yl-5-(1,3-thiazol-2-ylamino)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-spiro[3.4]octan-3-yl-5-(1,3-thiazol-2-ylamino)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
PubChem CID164822703
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC NameN-spiro[3.4]octan-3-yl-5-(1,3-thiazol-2-ylamino)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
SMILESO=C(NC1CCC12CCCC2)c1nc(Nc2nccs2)cc2cc[nH]c12
InChIInChI=1S/C19H21N5OS/c25-17(22-13-3-7-19(13)5-1-2-6-19)16-15-12(4-8-20-15)11-14(23-16)24-18-21-9-10-26-18/h4,8-11,13,20H,1-3,5-7H2,(H,22,25)(H,21,23,24)
InChIKeyDYCKSDRQTGKRAM-UHFFFAOYSA-N
XLogP4.22
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,5-difluoroanilino)-N-spiro[3.4]octan-3-yl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
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1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
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1-hydroxy-N-(1,3-thiazol-2-yl)cyclopentane-1-carboxamide
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2-methoxy-1-[3-[4-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 155985337
3-methyl-1-[(3S)-3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-spiro[3.4]octan-3-yl-5-(1,3-thiazol-2-ylamino)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?
The IUPAC name of N-spiro[3.4]octan-3-yl-5-(1,3-thiazol-2-ylamino)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide (CID 164822703) is N-spiro[3.4]octan-3-yl-5-(1,3-thiazol-2-ylamino)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-spiro[3.4]octan-3-yl-5-(1,3-thiazol-2-ylamino)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-spiro[3.4]octan-3-yl-5-(1,3-thiazol-2-ylamino)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide is O=C(NC1CCC12CCCC2)c1nc(Nc2nccs2)cc2cc[nH]c12.
What is the InChIKey of N-spiro[3.4]octan-3-yl-5-(1,3-thiazol-2-ylamino)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?
The InChIKey is DYCKSDRQTGKRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c25-17(22-13-3-7-19(13)5-1-2-6-19)16-15-12(4-8-20-15)11-14(23-16)24-18-21-9-10-26-18/h4,8-11,13,20H,1-3,5-7H2,(H,22,25)(H,21,23,24).
What are the key properties of N-spiro[3.4]octan-3-yl-5-(1,3-thiazol-2-ylamino)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?
N-spiro[3.4]octan-3-yl-5-(1,3-thiazol-2-ylamino)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 4.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[3.4]octan-3-yl-5-(1,3-thiazol-2-ylamino)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 164822703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).