N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine

C20H25N7O2S — CID 56848834

IUPACN-methyl-5-pyrrolidin-1-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine
SMILESCN(c1ccc(S(=O)(=O)N2CCCC2)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C20H25N7O2S/c1-25(18-5-4-16(12-22-18)30(28,29)27-9-2-3-10-27)15-7-11-26(13-15)20-17-6-8-21-19(17)23-14-24-20/h4-6,8,12,14-15H,2-3,7,9-11,13H2,1H3,(H,21,23,24)/t15-/m1/s1
InChIKeyWULROJCEUFDOMA-OAHLLOKOSA-N
MW427.53 g/mol
LogP1.85
Rot. Bonds5

About N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine

N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine (PubChem CID 56848834) has the molecular formula C20H25N7O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-pyrrolidin-1-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine
PubChem CID56848834
Molecular FormulaC20H25N7O2S
Molecular Weight427.53 g/mol
Exact Mass427.18
IUPAC NameN-methyl-5-pyrrolidin-1-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine
SMILESCN(c1ccc(S(=O)(=O)N2CCCC2)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C20H25N7O2S/c1-25(18-5-4-16(12-22-18)30(28,29)27-9-2-3-10-27)15-7-11-26(13-15)20-17-6-8-21-19(17)23-14-24-20/h4-6,8,12,14-15H,2-3,7,9-11,13H2,1H3,(H,21,23,24)/t15-/m1/s1
InChIKeyWULROJCEUFDOMA-OAHLLOKOSA-N
XLogP1.85
TPSA98.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine (CID 56848834) is N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine is CN(c1ccc(S(=O)(=O)N2CCCC2)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1.
What is the InChIKey of N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is WULROJCEUFDOMA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N7O2S/c1-25(18-5-4-16(12-22-18)30(28,29)27-9-2-3-10-27)15-7-11-26(13-15)20-17-6-8-21-19(17)23-14-24-20/h4-6,8,12,14-15H,2-3,7,9-11,13H2,1H3,(H,21,23,24)/t15-/m1/s1.
What are the key properties of N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine?
N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 427.53 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 56848834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).