4-ethoxy-N-[5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C19H27N7O2 — CID 118288952

IUPAC4-ethoxy-N-[5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCOc1nc(Nc2cnn(CCN3CCOC[C@@H]3C)c2C)nc2[nH]ccc12
InChIInChI=1S/C19H27N7O2/c1-4-28-18-15-5-6-20-17(15)23-19(24-18)22-16-11-21-26(14(16)3)8-7-25-9-10-27-12-13(25)2/h5-6,11,13H,4,7-10,12H2,1-3H3,(H2,20,22,23,24)/t13-/m0/s1
InChIKeyBHCPXUYIZMJMSG-ZDUSSCGKSA-N
MW385.47 g/mol
LogP2.33
Rot. Bonds7

About 4-ethoxy-N-[5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-ethoxy-N-[5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 118288952) has the molecular formula C19H27N7O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-ethoxy-N-[5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID118288952
Molecular FormulaC19H27N7O2
Molecular Weight385.47 g/mol
Exact Mass385.22
IUPAC Name4-ethoxy-N-[5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCOc1nc(Nc2cnn(CCN3CCOC[C@@H]3C)c2C)nc2[nH]ccc12
InChIInChI=1S/C19H27N7O2/c1-4-28-18-15-5-6-20-17(15)23-19(24-18)22-16-11-21-26(14(16)3)8-7-25-9-10-27-12-13(25)2/h5-6,11,13H,4,7-10,12H2,1-3H3,(H2,20,22,23,24)/t13-/m0/s1
InChIKeyBHCPXUYIZMJMSG-ZDUSSCGKSA-N
XLogP2.33
TPSA93.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 118288952) is 4-ethoxy-N-[5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CCOc1nc(Nc2cnn(CCN3CCOC[C@@H]3C)c2C)nc2[nH]ccc12.
What is the InChIKey of 4-ethoxy-N-[5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is BHCPXUYIZMJMSG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H27N7O2/c1-4-28-18-15-5-6-20-17(15)23-19(24-18)22-16-11-21-26(14(16)3)8-7-25-9-10-27-12-13(25)2/h5-6,11,13H,4,7-10,12H2,1-3H3,(H2,20,22,23,24)/t13-/m0/s1.
What are the key properties of 4-ethoxy-N-[5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-ethoxy-N-[5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 385.47 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 118288952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).