N-[[1-[(3-bromothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine

C16H16BrN3S — CID 66413404

IUPACN-[[1-[(3-bromothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
SMILESBrc1ccsc1Cn1cc(CNC2CC2)c2cccnc21
InChIInChI=1S/C16H16BrN3S/c17-14-5-7-21-15(14)10-20-9-11(8-19-12-3-4-12)13-2-1-6-18-16(13)20/h1-2,5-7,9,12,19H,3-4,8,10H2
InChIKeyMUSUFWMLHPXIRI-UHFFFAOYSA-N
MW362.30 g/mol
LogP4.16
Rot. Bonds5

About N-[[1-[(3-bromothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine

N-[[1-[(3-bromothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine (PubChem CID 66413404) has the molecular formula C16H16BrN3S and a molecular weight of 362.30 g/mol. Its IUPAC name is N-[[1-[(3-bromothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3-bromothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
PubChem CID66413404
Molecular FormulaC16H16BrN3S
Molecular Weight362.30 g/mol
Exact Mass361.02
IUPAC NameN-[[1-[(3-bromothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
SMILESBrc1ccsc1Cn1cc(CNC2CC2)c2cccnc21
InChIInChI=1S/C16H16BrN3S/c17-14-5-7-21-15(14)10-20-9-11(8-19-12-3-4-12)13-2-1-6-18-16(13)20/h1-2,5-7,9,12,19H,3-4,8,10H2
InChIKeyMUSUFWMLHPXIRI-UHFFFAOYSA-N
XLogP4.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(3-bromothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66413007
N-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412809
N-[[1-(cyclopentylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412218
N-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 82928061
N-[[1-(2-propan-2-yloxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412220
N-[[1-(2-imidazol-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412807
N-[[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412412
N-[(3-bromothiophen-2-yl)methyl]cyclooctanamine
CID 63488961
N-[(3-bromothiophen-2-yl)methyl]thian-4-amine
CID 78943460
1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 105405146
[1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66414124
N-[(3-bromothiophen-2-yl)methyl]-5-chloroquinolin-8-amine
CID 115380155

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-bromothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3-bromothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine (CID 66413404) is N-[[1-[(3-bromothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3-bromothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3-bromothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine is Brc1ccsc1Cn1cc(CNC2CC2)c2cccnc21.
What is the InChIKey of N-[[1-[(3-bromothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
The InChIKey is MUSUFWMLHPXIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3S/c17-14-5-7-21-15(14)10-20-9-11(8-19-12-3-4-12)13-2-1-6-18-16(13)20/h1-2,5-7,9,12,19H,3-4,8,10H2.
What are the key properties of N-[[1-[(3-bromothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
N-[[1-[(3-bromothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine has a molecular weight of 362.30 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-bromothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66413404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).