N-[(3S)-pyrrolidin-3-yl]-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

C15H17N5 — CID 155466084

IUPACN-[(3S)-pyrrolidin-3-yl]-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESc1cc(-c2cnc3[nH]ccc3c2N[C@H]2CCNC2)c[nH]1
InChIInChI=1S/C15H17N5/c1-4-16-7-10(1)13-9-19-15-12(3-6-18-15)14(13)20-11-2-5-17-8-11/h1,3-4,6-7,9,11,16-17H,2,5,8H2,(H2,18,19,20)/t11-/m0/s1
InChIKeyMIPPHXLKWHRZBA-NSHDSACASA-N
MW267.34 g/mol
LogP2.33
Rot. Bonds3

About N-[(3S)-pyrrolidin-3-yl]-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

N-[(3S)-pyrrolidin-3-yl]-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 155466084) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[(3S)-pyrrolidin-3-yl]-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-[(3S)-pyrrolidin-3-yl]-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID155466084
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-[(3S)-pyrrolidin-3-yl]-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESc1cc(-c2cnc3[nH]ccc3c2N[C@H]2CCNC2)c[nH]1
InChIInChI=1S/C15H17N5/c1-4-16-7-10(1)13-9-19-15-12(3-6-18-15)14(13)20-11-2-5-17-8-11/h1,3-4,6-7,9,11,16-17H,2,5,8H2,(H2,18,19,20)/t11-/m0/s1
InChIKeyMIPPHXLKWHRZBA-NSHDSACASA-N
XLogP2.33
TPSA68.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-[[5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]methyl]benzonitrile
CID 177374401
5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 155253895
5-(3-chloro-4-methoxyphenyl)-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 156781520
N-cyclohexyl-5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 156781533
N-cyclohexyl-5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 156781531
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 138595531
N-pyrrolidin-3-yl-1H-pyrrol-3-amine
CID 115118616
4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride
CID 138595405
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67518186
N-pyrrolidin-3-yl-6-(1H-pyrrol-3-yl)pyridazin-3-amine
CID 116970983
5-[2-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 155254037
ethyl 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;dihydrochloride
CID 163229869

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-pyrrolidin-3-yl]-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-[(3S)-pyrrolidin-3-yl]-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 155466084) is N-[(3S)-pyrrolidin-3-yl]-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-[(3S)-pyrrolidin-3-yl]-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-[(3S)-pyrrolidin-3-yl]-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is c1cc(-c2cnc3[nH]ccc3c2N[C@H]2CCNC2)c[nH]1.
What is the InChIKey of N-[(3S)-pyrrolidin-3-yl]-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is MIPPHXLKWHRZBA-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N5/c1-4-16-7-10(1)13-9-19-15-12(3-6-18-15)14(13)20-11-2-5-17-8-11/h1,3-4,6-7,9,11,16-17H,2,5,8H2,(H2,18,19,20)/t11-/m0/s1.
What are the key properties of N-[(3S)-pyrrolidin-3-yl]-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
N-[(3S)-pyrrolidin-3-yl]-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 267.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-pyrrolidin-3-yl]-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 155466084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).