N-[(5-morpholin-4-yl-2H-pyrrol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine

C22H24N6O — CID 71096511

IUPACN-[(5-morpholin-4-yl-2H-pyrrol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
SMILESC1=CC(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)N=C1N1CCOCC1
InChIInChI=1S/C22H24N6O/c1-2-19-17(14-26-22(19)23-7-1)12-16-3-5-20(24-13-16)25-15-18-4-6-21(27-18)28-8-10-29-11-9-28/h1-7,13-14,18H,8-12,15H2,(H,23,26)(H,24,25)
InChIKeyCSYVBVSVILJHDQ-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.63
Rot. Bonds5

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

N-[(5-morpholin-4-yl-2H-pyrrol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine (PubChem CID 71096511) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-[(5-morpholin-4-yl-2H-pyrrol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(5-morpholin-4-yl-2H-pyrrol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
PubChem CID71096511
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-[(5-morpholin-4-yl-2H-pyrrol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
SMILESC1=CC(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)N=C1N1CCOCC1
InChIInChI=1S/C22H24N6O/c1-2-19-17(14-26-22(19)23-7-1)12-16-3-5-20(24-13-16)25-15-18-4-6-21(27-18)28-8-10-29-11-9-28/h1-7,13-14,18H,8-12,15H2,(H,23,26)(H,24,25)
InChIKeyCSYVBVSVILJHDQ-UHFFFAOYSA-N
XLogP2.63
TPSA78.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-morpholin-4-yl-2H-pyrrol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of N-[(5-morpholin-4-yl-2H-pyrrol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine (CID 71096511) is N-[(5-morpholin-4-yl-2H-pyrrol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-[(5-morpholin-4-yl-2H-pyrrol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-[(5-morpholin-4-yl-2H-pyrrol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine is C1=CC(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)N=C1N1CCOCC1.
What is the InChIKey of N-[(5-morpholin-4-yl-2H-pyrrol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
The InChIKey is CSYVBVSVILJHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-2-19-17(14-26-22(19)23-7-1)12-16-3-5-20(24-13-16)25-15-18-4-6-21(27-18)28-8-10-29-11-9-28/h1-7,13-14,18H,8-12,15H2,(H,23,26)(H,24,25).
What are the key properties of N-[(5-morpholin-4-yl-2H-pyrrol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
N-[(5-morpholin-4-yl-2H-pyrrol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine has a molecular weight of 388.48 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-morpholin-4-yl-2H-pyrrol-2-yl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 71096511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).