4-amino-6-[[(1S)-1-(3-fluoro-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]pyrimidine-5-carbonitrile

C20H17FN8 — CID 170069070

IUPAC4-amino-6-[[(1S)-1-(3-fluoro-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]pyrimidine-5-carbonitrile
SMILESCc1nn2cc([C@H](C)Nc3ncnc(N)c3C#N)c(-c3ccccc3)nc2c1F
InChIInChI=1S/C20H17FN8/c1-11(26-19-14(8-22)18(23)24-10-25-19)15-9-29-20(16(21)12(2)28-29)27-17(15)13-6-4-3-5-7-13/h3-7,9-11H,1-2H3,(H3,23,24,25,26)/t11-/m0/s1
InChIKeyMDNFSJQOULKGJL-NSHDSACASA-N
MW388.41 g/mol
LogP3.26
Rot. Bonds4

About 4-amino-6-[[(1S)-1-(3-fluoro-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]pyrimidine-5-carbonitrile

4-amino-6-[[(1S)-1-(3-fluoro-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]pyrimidine-5-carbonitrile (PubChem CID 170069070) has the molecular formula C20H17FN8 and a molecular weight of 388.41 g/mol. Its IUPAC name is 4-amino-6-[[(1S)-1-(3-fluoro-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[[(1S)-1-(3-fluoro-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]pyrimidine-5-carbonitrile
PubChem CID170069070
Molecular FormulaC20H17FN8
Molecular Weight388.41 g/mol
Exact Mass388.16
IUPAC Name4-amino-6-[[(1S)-1-(3-fluoro-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]pyrimidine-5-carbonitrile
SMILESCc1nn2cc([C@H](C)Nc3ncnc(N)c3C#N)c(-c3ccccc3)nc2c1F
InChIInChI=1S/C20H17FN8/c1-11(26-19-14(8-22)18(23)24-10-25-19)15-9-29-20(16(21)12(2)28-29)27-17(15)13-6-4-3-5-7-13/h3-7,9-11H,1-2H3,(H3,23,24,25,26)/t11-/m0/s1
InChIKeyMDNFSJQOULKGJL-NSHDSACASA-N
XLogP3.26
TPSA117.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[[(1S)-1-(3-fluoro-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[[(1S)-1-(3-fluoro-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]pyrimidine-5-carbonitrile (CID 170069070) is 4-amino-6-[[(1S)-1-(3-fluoro-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[[(1S)-1-(3-fluoro-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[[(1S)-1-(3-fluoro-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]pyrimidine-5-carbonitrile is Cc1nn2cc([C@H](C)Nc3ncnc(N)c3C#N)c(-c3ccccc3)nc2c1F.
What is the InChIKey of 4-amino-6-[[(1S)-1-(3-fluoro-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The InChIKey is MDNFSJQOULKGJL-NSHDSACASA-N. The full InChI is InChI=1S/C20H17FN8/c1-11(26-19-14(8-22)18(23)24-10-25-19)15-9-29-20(16(21)12(2)28-29)27-17(15)13-6-4-3-5-7-13/h3-7,9-11H,1-2H3,(H3,23,24,25,26)/t11-/m0/s1.
What are the key properties of 4-amino-6-[[(1S)-1-(3-fluoro-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]pyrimidine-5-carbonitrile?
4-amino-6-[[(1S)-1-(3-fluoro-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]pyrimidine-5-carbonitrile has a molecular weight of 388.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[[(1S)-1-(3-fluoro-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 170069070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).