3-[2-(methoxymethyl)cyclopropyl]-N-[(3R,6S)-6-methylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine

C18H26N4O — CID 146343689

IUPAC3-[2-(methoxymethyl)cyclopropyl]-N-[(3R,6S)-6-methylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCOCC1CC1c1c[nH]c2nccc(N[C@@H]3CC[C@H](C)NC3)c12
InChIInChI=1S/C18H26N4O/c1-11-3-4-13(8-20-11)22-16-5-6-19-18-17(16)15(9-21-18)14-7-12(14)10-23-2/h5-6,9,11-14,20H,3-4,7-8,10H2,1-2H3,(H2,19,21,22)/t11-,12?,13+,14?/m0/s1
InChIKeyOMYDZFAPTGBEBO-RJZJGCCBSA-N
MW314.43 g/mol
LogP2.87
Rot. Bonds5

About 3-[2-(methoxymethyl)cyclopropyl]-N-[(3R,6S)-6-methylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine

3-[2-(methoxymethyl)cyclopropyl]-N-[(3R,6S)-6-methylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 146343689) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)cyclopropyl]-N-[(3R,6S)-6-methylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-(methoxymethyl)cyclopropyl]-N-[(3R,6S)-6-methylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID146343689
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3-[2-(methoxymethyl)cyclopropyl]-N-[(3R,6S)-6-methylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCOCC1CC1c1c[nH]c2nccc(N[C@@H]3CC[C@H](C)NC3)c12
InChIInChI=1S/C18H26N4O/c1-11-3-4-13(8-20-11)22-16-5-6-19-18-17(16)15(9-21-18)14-7-12(14)10-23-2/h5-6,9,11-14,20H,3-4,7-8,10H2,1-2H3,(H2,19,21,22)/t11-,12?,13+,14?/m0/s1
InChIKeyOMYDZFAPTGBEBO-RJZJGCCBSA-N
XLogP2.87
TPSA61.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)cyclopropyl]-N-[(3R,6S)-6-methylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 3-[2-(methoxymethyl)cyclopropyl]-N-[(3R,6S)-6-methylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 146343689) is 3-[2-(methoxymethyl)cyclopropyl]-N-[(3R,6S)-6-methylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 3-[2-(methoxymethyl)cyclopropyl]-N-[(3R,6S)-6-methylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 3-[2-(methoxymethyl)cyclopropyl]-N-[(3R,6S)-6-methylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine is COCC1CC1c1c[nH]c2nccc(N[C@@H]3CC[C@H](C)NC3)c12.
What is the InChIKey of 3-[2-(methoxymethyl)cyclopropyl]-N-[(3R,6S)-6-methylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is OMYDZFAPTGBEBO-RJZJGCCBSA-N. The full InChI is InChI=1S/C18H26N4O/c1-11-3-4-13(8-20-11)22-16-5-6-19-18-17(16)15(9-21-18)14-7-12(14)10-23-2/h5-6,9,11-14,20H,3-4,7-8,10H2,1-2H3,(H2,19,21,22)/t11-,12?,13+,14?/m0/s1.
What are the key properties of 3-[2-(methoxymethyl)cyclopropyl]-N-[(3R,6S)-6-methylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
3-[2-(methoxymethyl)cyclopropyl]-N-[(3R,6S)-6-methylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 314.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethyl)cyclopropyl]-N-[(3R,6S)-6-methylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 146343689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).