4-[5-[(2S)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine

C16H22N6O3S — CID 95851634

IUPAC4-[5-[(2S)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2cn[nH]c2[C@@H]2CN(S(=O)(=O)N3CCCC3)CCO2)ccn1
InChIInChI=1S/C16H22N6O3S/c17-15-9-12(3-4-18-15)13-10-19-20-16(13)14-11-22(7-8-25-14)26(23,24)21-5-1-2-6-21/h3-4,9-10,14H,1-2,5-8,11H2,(H2,17,18)(H,19,20)/t14-/m0/s1
InChIKeyPNDDQAFUAXNKLN-AWEZNQCLSA-N
MW378.46 g/mol
LogP0.77
Rot. Bonds4

About 4-[5-[(2S)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine

4-[5-[(2S)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine (PubChem CID 95851634) has the molecular formula C16H22N6O3S and a molecular weight of 378.46 g/mol. Its IUPAC name is 4-[5-[(2S)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[5-[(2S)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine
PubChem CID95851634
Molecular FormulaC16H22N6O3S
Molecular Weight378.46 g/mol
Exact Mass378.15
IUPAC Name4-[5-[(2S)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2cn[nH]c2[C@@H]2CN(S(=O)(=O)N3CCCC3)CCO2)ccn1
InChIInChI=1S/C16H22N6O3S/c17-15-9-12(3-4-18-15)13-10-19-20-16(13)14-11-22(7-8-25-14)26(23,24)21-5-1-2-6-21/h3-4,9-10,14H,1-2,5-8,11H2,(H2,17,18)(H,19,20)/t14-/m0/s1
InChIKeyPNDDQAFUAXNKLN-AWEZNQCLSA-N
XLogP0.77
TPSA117.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2S)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[5-[(2S)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine (CID 95851634) is 4-[5-[(2S)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[5-[(2S)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[5-[(2S)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine is Nc1cc(-c2cn[nH]c2[C@@H]2CN(S(=O)(=O)N3CCCC3)CCO2)ccn1.
What is the InChIKey of 4-[5-[(2S)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine?
The InChIKey is PNDDQAFUAXNKLN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N6O3S/c17-15-9-12(3-4-18-15)13-10-19-20-16(13)14-11-22(7-8-25-14)26(23,24)21-5-1-2-6-21/h3-4,9-10,14H,1-2,5-8,11H2,(H2,17,18)(H,19,20)/t14-/m0/s1.
What are the key properties of 4-[5-[(2S)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine?
4-[5-[(2S)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine has a molecular weight of 378.46 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2S)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 95851634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).